N-[5-(butylcarbamoyl)-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-3-(hexanoylamino)-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxamide;N-[5-(butylcarbamoyl)-1H-pyrazol-3-yl]-3-(hexanoylamino)-1H-pyrazole-5-carboxamide;hexanoyl chloride;methyl 3-[[3-amino-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbonyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylate;methyl 3-[[3-(hexanoylamino)-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbonyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylate

C114H143ClN26O20 — CID 160521682

IUPACN-[5-(butylcarbamoyl)-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-3-(hexanoylamino)-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxamide;N-[5-(butylcarbamoyl)-1H-pyrazol-3-yl]-3-(hexanoylamino)-1H-pyrazole-5-carboxamide;hexanoyl chloride;methyl 3-[[3-amino-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbonyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylate;methyl 3-[[3-(hexanoylamino)-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbonyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylate
SMILESCCCCCC(=O)Cl.CCCCCC(=O)Nc1cc(C(=O)Nc2cc(C(=O)NCCCC)[nH]n2)[nH]n1.CCCCCC(=O)Nc1cc(C(=O)Nc2cc(C(=O)NCCCC)n(Cc3ccc(OC)cc3)n2)n(Cc2ccc(OC)cc2)n1.CCCCCC(=O)Nc1cc(C(=O)Nc2cc(C(=O)OC)n(Cc3ccc(OC)cc3)n2)n(Cc2ccc(OC)cc2)n1.COC(=O)c1cc(NC(=O)c2cc(N)nn2Cc2ccc(OC)cc2)nn1Cc1ccc(OC)cc1
InChIInChI=1S/C34H43N7O5.C31H36N6O6.C25H26N6O5.C18H27N7O3.C6H11ClO/c1-5-7-9-10-32(42)36-30-21-29(41(38-30)23-25-13-17-27(46-4)18-14-25)34(44)37-31-20-28(33(43)35-19-8-6-2)40(39-31)22-24-11-15-26(45-3)16-12-24;1-5-6-7-8-29(38)32-27-17-25(36(34-27)19-21-9-13-23(41-2)14-10-21)30(39)33-28-18-26(31(40)43-4)37(35-28)20-22-11-15-24(42-3)16-12-22;1-34-18-8-4-16(5-9-18)14-30-20(12-22(26)28-30)24(32)27-23-13-21(25(33)36-3)31(29-23)15-17-6-10-19(35-2)11-7-17;1-3-5-7-8-16(26)20-14-11-13(23-24-14)18(28)21-15-10-12(22-25-15)17(27)19-9-6-4-2;1-2-3-4-5-6(7)8/h11-18,20-21H,5-10,19,22-23H2,1-4H3,(H,35,43)(H,36,38,42)(H,37,39,44);9-18H,5-8,19-20H2,1-4H3,(H,32,34,38)(H,33,35,39);4-13H,14-15H2,1-3H3,(H2,26,28)(H,27,29,32);10-11H,3-9H2,1-2H3,(H,19,27)(H2,20,23,24,26)(H2,21,22,25,28);2-5H2,1H3
InChIKeyQUIYHCXCKUZEMS-UHFFFAOYSA-N
MW2233.01 g/mol
LogP17.83
Rot. Bonds55

About N-[5-(butylcarbamoyl)-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-3-(hexanoylamino)-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxamide;N-[5-(butylcarbamoyl)-1H-pyrazol-3-yl]-3-(hexanoylamino)-1H-pyrazole-5-carboxamide;hexanoyl chloride;methyl 3-[[3-amino-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbonyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylate;methyl 3-[[3-(hexanoylamino)-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbonyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylate

N-[5-(butylcarbamoyl)-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-3-(hexanoylamino)-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxamide;N-[5-(butylcarbamoyl)-1H-pyrazol-3-yl]-3-(hexanoylamino)-1H-pyrazole-5-carboxamide;hexanoyl chloride;methyl 3-[[3-amino-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbonyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylate;methyl 3-[[3-(hexanoylamino)-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbonyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylate (PubChem CID 160521682) has the molecular formula C114H143ClN26O20 and a molecular weight of 2233.01 g/mol. Its IUPAC name is N-[5-(butylcarbamoyl)-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-3-(hexanoylamino)-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxamide;N-[5-(butylcarbamoyl)-1H-pyrazol-3-yl]-3-(hexanoylamino)-1H-pyrazole-5-carboxamide;hexanoyl chloride;methyl 3-[[3-amino-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbonyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylate;methyl 3-[[3-(hexanoylamino)-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbonyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylate.

Molecular Properties

Compound NameN-[5-(butylcarbamoyl)-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-3-(hexanoylamino)-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxamide;N-[5-(butylcarbamoyl)-1H-pyrazol-3-yl]-3-(hexanoylamino)-1H-pyrazole-5-carboxamide;hexanoyl chloride;methyl 3-[[3-amino-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbonyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylate;methyl 3-[[3-(hexanoylamino)-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbonyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylate
PubChem CID160521682
Molecular FormulaC114H143ClN26O20
Molecular Weight2233.01 g/mol
Exact Mass2231.07
IUPAC NameN-[5-(butylcarbamoyl)-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-3-(hexanoylamino)-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxamide;N-[5-(butylcarbamoyl)-1H-pyrazol-3-yl]-3-(hexanoylamino)-1H-pyrazole-5-carboxamide;hexanoyl chloride;methyl 3-[[3-amino-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbonyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylate;methyl 3-[[3-(hexanoylamino)-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbonyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylate
SMILESCCCCCC(=O)Cl.CCCCCC(=O)Nc1cc(C(=O)Nc2cc(C(=O)NCCCC)[nH]n2)[nH]n1.CCCCCC(=O)Nc1cc(C(=O)Nc2cc(C(=O)NCCCC)n(Cc3ccc(OC)cc3)n2)n(Cc2ccc(OC)cc2)n1.CCCCCC(=O)Nc1cc(C(=O)Nc2cc(C(=O)OC)n(Cc3ccc(OC)cc3)n2)n(Cc2ccc(OC)cc2)n1.COC(=O)c1cc(NC(=O)c2cc(N)nn2Cc2ccc(OC)cc2)nn1Cc1ccc(OC)cc1
InChIInChI=1S/C34H43N7O5.C31H36N6O6.C25H26N6O5.C18H27N7O3.C6H11ClO/c1-5-7-9-10-32(42)36-30-21-29(41(38-30)23-25-13-17-27(46-4)18-14-25)34(44)37-31-20-28(33(43)35-19-8-6-2)40(39-31)22-24-11-15-26(45-3)16-12-24;1-5-6-7-8-29(38)32-27-17-25(36(34-27)19-21-9-13-23(41-2)14-10-21)30(39)33-28-18-26(31(40)43-4)37(35-28)20-22-11-15-24(42-3)16-12-22;1-34-18-8-4-16(5-9-18)14-30-20(12-22(26)28-30)24(32)27-23-13-21(25(33)36-3)31(29-23)15-17-6-10-19(35-2)11-7-17;1-3-5-7-8-16(26)20-14-11-13(23-24-14)18(28)21-15-10-12(22-25-15)17(27)19-9-6-4-2;1-2-3-4-5-6(7)8/h11-18,20-21H,5-10,19,22-23H2,1-4H3,(H,35,43)(H,36,38,42)(H,37,39,44);9-18H,5-8,19-20H2,1-4H3,(H,32,34,38)(H,33,35,39);4-13H,14-15H2,1-3H3,(H2,26,28)(H,27,29,32);10-11H,3-9H2,1-2H3,(H,19,27)(H2,20,23,24,26)(H2,21,22,25,28);2-5H2,1H3
InChIKeyQUIYHCXCKUZEMS-UHFFFAOYSA-N
XLogP17.83
TPSA577.25 Ų
H-Bond Donors12
H-Bond Acceptors35
Rotatable Bonds55
Heavy Atoms161
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002233.01
LogP ≤ 517.83
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[5-(butylcarbamoyl)-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-3-(hexanoylamino)-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxamide;N-[5-(butylcarbamoyl)-1H-pyrazol-3-yl]-3-(hexanoylamino)-1H-pyrazole-5-carboxamide;hexanoyl chloride;methyl 3-[[3-amino-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbonyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylate;methyl 3-[[3-(hexanoylamino)-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbonyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylate with MolForge

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Related Compounds

3-[[3-[[3-amino-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbonyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbonyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylic acid
CID 25241935
4-[[1-[(4-methoxyphenyl)methyl]-3-[[1-[(4-methoxyphenyl)methyl]-3-[[1-[(4-methoxyphenyl)methyl]-3-nitropyrazole-5-carbonyl]amino]pyrazole-5-carbonyl]amino]pyrazole-5-carbonyl]amino]butanoic acid
CID 70896362
methyl 3-[[2-[(2-aminoacetyl)amino]acetyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylate
CID 11257354
3-amino-N-pentyl-1H-pyrazole-5-carboxamide
CID 64525391
methyl 3-chlorosulfonyl-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylate
CID 167348254
3-[[2-(4-methoxyphenyl)acetyl]amino]-1H-pyrazole-5-carboxylic acid
CID 64528429
3-amino-1-ethyl-N-(3-methoxypropyl)pyrazole-5-carboxamide
CID 122171299
3-amino-N-(5-methoxy-1-methylpyrazol-3-yl)-1H-pyrazole-5-carboxamide
CID 114255287
N-(1-benzyl-5-methylpyrazol-3-yl)-3-(4-methoxyphenyl)propanamide
CID 17052773
3-amino-N-[4-methoxy-3-(pentanoylamino)phenyl]-1H-pyrazole-5-carboxamide
CID 50949902
N-butyl-3-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide
CID 42755291
N-[1-amino-3-(4-methoxyphenyl)-1-oxopropan-2-yl]hexanamide
CID 166986016

Frequently Asked Questions

What is the IUPAC name of N-[5-(butylcarbamoyl)-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-3-(hexanoylamino)-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxamide;N-[5-(butylcarbamoyl)-1H-pyrazol-3-yl]-3-(hexanoylamino)-1H-pyrazole-5-carboxamide;hexanoyl chloride;methyl 3-[[3-amino-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbonyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylate;methyl 3-[[3-(hexanoylamino)-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbonyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylate?
The IUPAC name of N-[5-(butylcarbamoyl)-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-3-(hexanoylamino)-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxamide;N-[5-(butylcarbamoyl)-1H-pyrazol-3-yl]-3-(hexanoylamino)-1H-pyrazole-5-carboxamide;hexanoyl chloride;methyl 3-[[3-amino-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbonyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylate;methyl 3-[[3-(hexanoylamino)-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbonyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylate (CID 160521682) is N-[5-(butylcarbamoyl)-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-3-(hexanoylamino)-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxamide;N-[5-(butylcarbamoyl)-1H-pyrazol-3-yl]-3-(hexanoylamino)-1H-pyrazole-5-carboxamide;hexanoyl chloride;methyl 3-[[3-amino-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbonyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylate;methyl 3-[[3-(hexanoylamino)-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbonyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylate.
What is the SMILES notation for N-[5-(butylcarbamoyl)-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-3-(hexanoylamino)-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxamide;N-[5-(butylcarbamoyl)-1H-pyrazol-3-yl]-3-(hexanoylamino)-1H-pyrazole-5-carboxamide;hexanoyl chloride;methyl 3-[[3-amino-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbonyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylate;methyl 3-[[3-(hexanoylamino)-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbonyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylate?
The canonical SMILES for N-[5-(butylcarbamoyl)-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-3-(hexanoylamino)-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxamide;N-[5-(butylcarbamoyl)-1H-pyrazol-3-yl]-3-(hexanoylamino)-1H-pyrazole-5-carboxamide;hexanoyl chloride;methyl 3-[[3-amino-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbonyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylate;methyl 3-[[3-(hexanoylamino)-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbonyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylate is CCCCCC(=O)Cl.CCCCCC(=O)Nc1cc(C(=O)Nc2cc(C(=O)NCCCC)[nH]n2)[nH]n1.CCCCCC(=O)Nc1cc(C(=O)Nc2cc(C(=O)NCCCC)n(Cc3ccc(OC)cc3)n2)n(Cc2ccc(OC)cc2)n1.CCCCCC(=O)Nc1cc(C(=O)Nc2cc(C(=O)OC)n(Cc3ccc(OC)cc3)n2)n(Cc2ccc(OC)cc2)n1.COC(=O)c1cc(NC(=O)c2cc(N)nn2Cc2ccc(OC)cc2)nn1Cc1ccc(OC)cc1.
What is the InChIKey of N-[5-(butylcarbamoyl)-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-3-(hexanoylamino)-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxamide;N-[5-(butylcarbamoyl)-1H-pyrazol-3-yl]-3-(hexanoylamino)-1H-pyrazole-5-carboxamide;hexanoyl chloride;methyl 3-[[3-amino-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbonyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylate;methyl 3-[[3-(hexanoylamino)-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbonyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylate?
The InChIKey is QUIYHCXCKUZEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H43N7O5.C31H36N6O6.C25H26N6O5.C18H27N7O3.C6H11ClO/c1-5-7-9-10-32(42)36-30-21-29(41(38-30)23-25-13-17-27(46-4)18-14-25)34(44)37-31-20-28(33(43)35-19-8-6-2)40(39-31)22-24-11-15-26(45-3)16-12-24;1-5-6-7-8-29(38)32-27-17-25(36(34-27)19-21-9-13-23(41-2)14-10-21)30(39)33-28-18-26(31(40)43-4)37(35-28)20-22-11-15-24(42-3)16-12-22;1-34-18-8-4-16(5-9-18)14-30-20(12-22(26)28-30)24(32)27-23-13-21(25(33)36-3)31(29-23)15-17-6-10-19(35-2)11-7-17;1-3-5-7-8-16(26)20-14-11-13(23-24-14)18(28)21-15-10-12(22-25-15)17(27)19-9-6-4-2;1-2-3-4-5-6(7)8/h11-18,20-21H,5-10,19,22-23H2,1-4H3,(H,35,43)(H,36,38,42)(H,37,39,44);9-18H,5-8,19-20H2,1-4H3,(H,32,34,38)(H,33,35,39);4-13H,14-15H2,1-3H3,(H2,26,28)(H,27,29,32);10-11H,3-9H2,1-2H3,(H,19,27)(H2,20,23,24,26)(H2,21,22,25,28);2-5H2,1H3.
What are the key properties of N-[5-(butylcarbamoyl)-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-3-(hexanoylamino)-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxamide;N-[5-(butylcarbamoyl)-1H-pyrazol-3-yl]-3-(hexanoylamino)-1H-pyrazole-5-carboxamide;hexanoyl chloride;methyl 3-[[3-amino-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbonyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylate;methyl 3-[[3-(hexanoylamino)-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbonyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylate?
N-[5-(butylcarbamoyl)-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-3-(hexanoylamino)-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxamide;N-[5-(butylcarbamoyl)-1H-pyrazol-3-yl]-3-(hexanoylamino)-1H-pyrazole-5-carboxamide;hexanoyl chloride;methyl 3-[[3-amino-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbonyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylate;methyl 3-[[3-(hexanoylamino)-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbonyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylate has a molecular weight of 2233.01 g/mol, XLogP of 17.83, 55 rotatable bonds, 12 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(butylcarbamoyl)-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-3-(hexanoylamino)-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxamide;N-[5-(butylcarbamoyl)-1H-pyrazol-3-yl]-3-(hexanoylamino)-1H-pyrazole-5-carboxamide;hexanoyl chloride;methyl 3-[[3-amino-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbonyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylate;methyl 3-[[3-(hexanoylamino)-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbonyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylate is sourced from PubChem (CID 160521682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).