5-chloro-1-[(2-chlorophenyl)methyl]-N,3-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrazole-4-carboxamide

C23H21Cl2N5O — CID 31645229

IUPAC5-chloro-1-[(2-chlorophenyl)methyl]-N,3-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
SMILESCc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)N(C)Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C23H21Cl2N5O/c1-16-21(22(25)30(27-16)15-18-8-6-7-11-20(18)24)23(31)28(2)13-17-12-26-29(14-17)19-9-4-3-5-10-19/h3-12,14H,13,15H2,1-2H3
InChIKeyACPQEXIBGXAKJB-UHFFFAOYSA-N
MW454.36 g/mol
LogP5.00
Rot. Bonds6

About 5-chloro-1-[(2-chlorophenyl)methyl]-N,3-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrazole-4-carboxamide

5-chloro-1-[(2-chlorophenyl)methyl]-N,3-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrazole-4-carboxamide (PubChem CID 31645229) has the molecular formula C23H21Cl2N5O and a molecular weight of 454.36 g/mol. Its IUPAC name is 5-chloro-1-[(2-chlorophenyl)methyl]-N,3-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-1-[(2-chlorophenyl)methyl]-N,3-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
PubChem CID31645229
Molecular FormulaC23H21Cl2N5O
Molecular Weight454.36 g/mol
Exact Mass453.11
IUPAC Name5-chloro-1-[(2-chlorophenyl)methyl]-N,3-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
SMILESCc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)N(C)Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C23H21Cl2N5O/c1-16-21(22(25)30(27-16)15-18-8-6-7-11-20(18)24)23(31)28(2)13-17-12-26-29(14-17)19-9-4-3-5-10-19/h3-12,14H,13,15H2,1-2H3
InChIKeyACPQEXIBGXAKJB-UHFFFAOYSA-N
XLogP5.00
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.36
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-benzylpyrazol-4-yl)methyl]-5-chloro-N,3-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 31798730
5-chloro-1-[(2-chlorophenyl)methyl]-N,N-diethyl-3-methylpyrazole-4-carboxamide
CID 78777250
2,3,5-trichloro-6-hydroxy-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 112813676
1-[(2-chlorophenyl)methyl]-N-[[4-(dimethylamino)phenyl]methyl]-N,3,5-trimethylpyrazole-4-carboxamide
CID 35591804
1-(2-chlorophenyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 49320521
N,4-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8810657
5-chloro-1-[(2-chlorophenyl)methyl]-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N,3-dimethylpyrazole-4-carboxamide
CID 31929455
5-chloro-1-[(2-chlorophenyl)methyl]-N,3-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)pyrazole-4-carboxamide
CID 78815926
5-chloro-1-[(2-chlorophenyl)methyl]-N-[2-(2-methoxyphenoxy)ethyl]-N,3-dimethylpyrazole-4-carboxamide
CID 55898744
2-hydroxy-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 24551539
1-benzyl-5-chloro-N-[(4-cyanophenyl)methyl]-N,3-dimethylpyrazole-4-carboxamide
CID 39858414
N,5-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 17449715

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(2-chlorophenyl)methyl]-N,3-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 5-chloro-1-[(2-chlorophenyl)methyl]-N,3-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrazole-4-carboxamide (CID 31645229) is 5-chloro-1-[(2-chlorophenyl)methyl]-N,3-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-1-[(2-chlorophenyl)methyl]-N,3-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-1-[(2-chlorophenyl)methyl]-N,3-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrazole-4-carboxamide is Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)N(C)Cc1cnn(-c2ccccc2)c1.
What is the InChIKey of 5-chloro-1-[(2-chlorophenyl)methyl]-N,3-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrazole-4-carboxamide?
The InChIKey is ACPQEXIBGXAKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl2N5O/c1-16-21(22(25)30(27-16)15-18-8-6-7-11-20(18)24)23(31)28(2)13-17-12-26-29(14-17)19-9-4-3-5-10-19/h3-12,14H,13,15H2,1-2H3.
What are the key properties of 5-chloro-1-[(2-chlorophenyl)methyl]-N,3-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrazole-4-carboxamide?
5-chloro-1-[(2-chlorophenyl)methyl]-N,3-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 454.36 g/mol, XLogP of 5.00, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(2-chlorophenyl)methyl]-N,3-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 31645229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).