4-[[3-[1-(5-aminopentyl)pyrazol-4-yl]benzoyl]amino]-1-(oxan-4-yl)pyrazole-3-carboxylate

C24H29N6O4- — CID 140797934

IUPAC4-[[3-[1-(5-aminopentyl)pyrazol-4-yl]benzoyl]amino]-1-(oxan-4-yl)pyrazole-3-carboxylate
SMILESNCCCCCn1cc(-c2cccc(C(=O)Nc3cn(C4CCOCC4)nc3C(=O)[O-])c2)cn1
InChIInChI=1S/C24H30N6O4/c25-9-2-1-3-10-29-15-19(14-26-29)17-5-4-6-18(13-17)23(31)27-21-16-30(28-22(21)24(32)33)20-7-11-34-12-8-20/h4-6,13-16,20H,1-3,7-12,25H2,(H,27,31)(H,32,33)/p-1
InChIKeyNYRBLZKHLBFURH-UHFFFAOYSA-M
MW465.53 g/mol
LogP1.84
Rot. Bonds10

About 4-[[3-[1-(5-aminopentyl)pyrazol-4-yl]benzoyl]amino]-1-(oxan-4-yl)pyrazole-3-carboxylate

4-[[3-[1-(5-aminopentyl)pyrazol-4-yl]benzoyl]amino]-1-(oxan-4-yl)pyrazole-3-carboxylate (PubChem CID 140797934) has the molecular formula C24H29N6O4- and a molecular weight of 465.53 g/mol. Its IUPAC name is 4-[[3-[1-(5-aminopentyl)pyrazol-4-yl]benzoyl]amino]-1-(oxan-4-yl)pyrazole-3-carboxylate.

Molecular Properties

Compound Name4-[[3-[1-(5-aminopentyl)pyrazol-4-yl]benzoyl]amino]-1-(oxan-4-yl)pyrazole-3-carboxylate
PubChem CID140797934
Molecular FormulaC24H29N6O4-
Molecular Weight465.53 g/mol
Exact Mass465.23
IUPAC Name4-[[3-[1-(5-aminopentyl)pyrazol-4-yl]benzoyl]amino]-1-(oxan-4-yl)pyrazole-3-carboxylate
SMILESNCCCCCn1cc(-c2cccc(C(=O)Nc3cn(C4CCOCC4)nc3C(=O)[O-])c2)cn1
InChIInChI=1S/C24H30N6O4/c25-9-2-1-3-10-29-15-19(14-26-29)17-5-4-6-18(13-17)23(31)27-21-16-30(28-22(21)24(32)33)20-7-11-34-12-8-20/h4-6,13-16,20H,1-3,7-12,25H2,(H,27,31)(H,32,33)/p-1
InChIKeyNYRBLZKHLBFURH-UHFFFAOYSA-M
XLogP1.84
TPSA140.12 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.53
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

4-[[6-[1-(6-aminohexyl)pyrazol-4-yl]pyridine-2-carbonyl]amino]-1-(oxan-4-yl)pyrazole-3-carboxylic acid
CID 122445367
4-[[3-[1-(2-chloroethyl)pyrazol-4-yl]benzoyl]amino]-1-methylpyrazole-3-carboxylate
CID 140811378
methyl 4-[(3-bromobenzoyl)amino]-1-(oxan-4-yl)pyrazole-3-carboxylate
CID 122445380
10-(4-phenylpyrazol-1-yl)decan-1-amine
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3-[4-(3-methylsulfonylphenyl)pyrazol-1-yl]propan-1-amine
CID 164608356
methyl 4-[[3-[(Z)-3-imino-1-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-en-2-yl]benzoyl]amino]-1-(oxan-4-yl)pyrazole-3-carboxylate
CID 153179960
4-[4-[2-[3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]pyrimidin-5-yl]pyrazol-1-yl]cyclohexan-1-ol
CID 118234168
N-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)benzamide
CID 110486267
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3-(1-ethylpyrazol-4-yl)benzamide
CID 169414310
3-methyl-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]benzamide
CID 97428025
6-[4-(3-aminophenyl)pyrazol-1-yl]hexan-1-ol
CID 107703748
4-amino-N-[3-(1-methylpyrazol-4-yl)phenyl]butanamide
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Frequently Asked Questions

What is the IUPAC name of 4-[[3-[1-(5-aminopentyl)pyrazol-4-yl]benzoyl]amino]-1-(oxan-4-yl)pyrazole-3-carboxylate?
The IUPAC name of 4-[[3-[1-(5-aminopentyl)pyrazol-4-yl]benzoyl]amino]-1-(oxan-4-yl)pyrazole-3-carboxylate (CID 140797934) is 4-[[3-[1-(5-aminopentyl)pyrazol-4-yl]benzoyl]amino]-1-(oxan-4-yl)pyrazole-3-carboxylate.
What is the SMILES notation for 4-[[3-[1-(5-aminopentyl)pyrazol-4-yl]benzoyl]amino]-1-(oxan-4-yl)pyrazole-3-carboxylate?
The canonical SMILES for 4-[[3-[1-(5-aminopentyl)pyrazol-4-yl]benzoyl]amino]-1-(oxan-4-yl)pyrazole-3-carboxylate is NCCCCCn1cc(-c2cccc(C(=O)Nc3cn(C4CCOCC4)nc3C(=O)[O-])c2)cn1.
What is the InChIKey of 4-[[3-[1-(5-aminopentyl)pyrazol-4-yl]benzoyl]amino]-1-(oxan-4-yl)pyrazole-3-carboxylate?
The InChIKey is NYRBLZKHLBFURH-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H30N6O4/c25-9-2-1-3-10-29-15-19(14-26-29)17-5-4-6-18(13-17)23(31)27-21-16-30(28-22(21)24(32)33)20-7-11-34-12-8-20/h4-6,13-16,20H,1-3,7-12,25H2,(H,27,31)(H,32,33)/p-1.
What are the key properties of 4-[[3-[1-(5-aminopentyl)pyrazol-4-yl]benzoyl]amino]-1-(oxan-4-yl)pyrazole-3-carboxylate?
4-[[3-[1-(5-aminopentyl)pyrazol-4-yl]benzoyl]amino]-1-(oxan-4-yl)pyrazole-3-carboxylate has a molecular weight of 465.53 g/mol, XLogP of 1.84, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[1-(5-aminopentyl)pyrazol-4-yl]benzoyl]amino]-1-(oxan-4-yl)pyrazole-3-carboxylate is sourced from PubChem (CID 140797934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).