5-chloro-1-[(2-chlorophenyl)methyl]-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-3-methylpyrazole-4-carboxamide

C24H24Cl2N4O2 — CID 55584290

IUPAC5-chloro-1-[(2-chlorophenyl)methyl]-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-3-methylpyrazole-4-carboxamide
SMILESCc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)NC(C)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C24H24Cl2N4O2/c1-14(16-9-11-19(12-10-16)28-23(31)17-7-8-17)27-24(32)21-15(2)29-30(22(21)26)13-18-5-3-4-6-20(18)25/h3-6,9-12,14,17H,7-8,13H2,1-2H3,(H,27,32)(H,28,31)
InChIKeyBWBMNBAYSYPDKF-UHFFFAOYSA-N
MW471.39 g/mol
LogP5.39
Rot. Bonds7

About 5-chloro-1-[(2-chlorophenyl)methyl]-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-3-methylpyrazole-4-carboxamide

5-chloro-1-[(2-chlorophenyl)methyl]-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-3-methylpyrazole-4-carboxamide (PubChem CID 55584290) has the molecular formula C24H24Cl2N4O2 and a molecular weight of 471.39 g/mol. Its IUPAC name is 5-chloro-1-[(2-chlorophenyl)methyl]-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-3-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-1-[(2-chlorophenyl)methyl]-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-3-methylpyrazole-4-carboxamide
PubChem CID55584290
Molecular FormulaC24H24Cl2N4O2
Molecular Weight471.39 g/mol
Exact Mass470.13
IUPAC Name5-chloro-1-[(2-chlorophenyl)methyl]-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-3-methylpyrazole-4-carboxamide
SMILESCc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)NC(C)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C24H24Cl2N4O2/c1-14(16-9-11-19(12-10-16)28-23(31)17-7-8-17)27-24(32)21-15(2)29-30(22(21)26)13-18-5-3-4-6-20(18)25/h3-6,9-12,14,17H,7-8,13H2,1-2H3,(H,27,32)(H,28,31)
InChIKeyBWBMNBAYSYPDKF-UHFFFAOYSA-N
XLogP5.39
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.39
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[1-[[(E)-3-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]prop-2-enoyl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 55591691
5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N'-phenylpyrazole-4-carbohydrazide
CID 78774668
5-chloro-1-[(2-chlorophenyl)methyl]-N-cyclohexyl-3-methylpyrazole-4-carboxamide
CID 29200902
5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-(4-methylcyclohexyl)pyrazole-4-carboxamide
CID 29213459
1-benzyl-5-chloro-3-methyl-N-(4-propan-2-ylphenyl)pyrazole-4-carboxamide
CID 7957023
5-chloro-1-[(2-chlorophenyl)methyl]-N-[2-[(dimethylamino)methyl]phenyl]-3-methylpyrazole-4-carboxamide
CID 38438701
N-[1-[4-(carbamoylamino)phenyl]ethyl]-1-[(2-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 55702940
5-chloro-1-[(2-chlorophenyl)methyl]-N-(6-methoxy-3-pyridinyl)-3-methylpyrazole-4-carboxamide
CID 35806096
5-chloro-1-[(2-chlorophenyl)methyl]-N-(2,3-dimethylphenyl)-3-methylpyrazole-4-carboxamide
CID 29200021
5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrazole-4-carboxamide
CID 35595678
(2R)-2-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazole-4-carbonyl]amino]propanoic acid
CID 119243799
N-(1-amino-1-oxopropan-2-yl)-1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide
CID 134045694

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(2-chlorophenyl)methyl]-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-3-methylpyrazole-4-carboxamide?
The IUPAC name of 5-chloro-1-[(2-chlorophenyl)methyl]-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-3-methylpyrazole-4-carboxamide (CID 55584290) is 5-chloro-1-[(2-chlorophenyl)methyl]-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-3-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-1-[(2-chlorophenyl)methyl]-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-3-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-1-[(2-chlorophenyl)methyl]-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-3-methylpyrazole-4-carboxamide is Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)NC(C)c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of 5-chloro-1-[(2-chlorophenyl)methyl]-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-3-methylpyrazole-4-carboxamide?
The InChIKey is BWBMNBAYSYPDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2N4O2/c1-14(16-9-11-19(12-10-16)28-23(31)17-7-8-17)27-24(32)21-15(2)29-30(22(21)26)13-18-5-3-4-6-20(18)25/h3-6,9-12,14,17H,7-8,13H2,1-2H3,(H,27,32)(H,28,31).
What are the key properties of 5-chloro-1-[(2-chlorophenyl)methyl]-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-3-methylpyrazole-4-carboxamide?
5-chloro-1-[(2-chlorophenyl)methyl]-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-3-methylpyrazole-4-carboxamide has a molecular weight of 471.39 g/mol, XLogP of 5.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(2-chlorophenyl)methyl]-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-3-methylpyrazole-4-carboxamide is sourced from PubChem (CID 55584290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).