1-(4-chlorophenyl)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]pyrazole-4-carboxamide

C19H22ClN5O — CID 55783966

IUPAC1-(4-chlorophenyl)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]pyrazole-4-carboxamide
SMILESCc1cc(C)n(CC(C)CNC(=O)c2cnn(-c3ccc(Cl)cc3)c2)n1
InChIInChI=1S/C19H22ClN5O/c1-13(11-24-15(3)8-14(2)23-24)9-21-19(26)16-10-22-25(12-16)18-6-4-17(20)5-7-18/h4-8,10,12-13H,9,11H2,1-3H3,(H,21,26)
InChIKeyWWLLRHVGZFPCMV-UHFFFAOYSA-N
MW371.87 g/mol
LogP3.41
Rot. Bonds6

About 1-(4-chlorophenyl)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]pyrazole-4-carboxamide

1-(4-chlorophenyl)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]pyrazole-4-carboxamide (PubChem CID 55783966) has the molecular formula C19H22ClN5O and a molecular weight of 371.87 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]pyrazole-4-carboxamide
PubChem CID55783966
Molecular FormulaC19H22ClN5O
Molecular Weight371.87 g/mol
Exact Mass371.15
IUPAC Name1-(4-chlorophenyl)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]pyrazole-4-carboxamide
SMILESCc1cc(C)n(CC(C)CNC(=O)c2cnn(-c3ccc(Cl)cc3)c2)n1
InChIInChI=1S/C19H22ClN5O/c1-13(11-24-15(3)8-14(2)23-24)9-21-19(26)16-10-22-25(12-16)18-6-4-17(20)5-7-18/h4-8,10,12-13H,9,11H2,1-3H3,(H,21,26)
InChIKeyWWLLRHVGZFPCMV-UHFFFAOYSA-N
XLogP3.41
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]acetamide
CID 55783699
4-chloro-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]pyridine-2-carboxamide
CID 94732274
1-(4-chlorophenyl)-N-(3-hydroxy-4-methylpentyl)pyrazole-4-carboxamide
CID 111461412
N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-methylsulfonylbenzamide
CID 94028989
N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 51953782
N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-(methanesulfonamido)benzamide
CID 51962923
N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-(methylsulfonylmethyl)benzamide
CID 51953821
N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2,4-difluorobenzamide
CID 47042487
N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2,6-dimethylpyridine-3-carboxamide
CID 47057757
4-(cyclopropanecarbonylamino)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]benzamide
CID 55783643
4-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(dimethylsulfamoyl)benzamide
CID 55783644
7-chloro-N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1,3-benzodioxole-5-carboxamide
CID 51953808

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]pyrazole-4-carboxamide (CID 55783966) is 1-(4-chlorophenyl)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]pyrazole-4-carboxamide is Cc1cc(C)n(CC(C)CNC(=O)c2cnn(-c3ccc(Cl)cc3)c2)n1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]pyrazole-4-carboxamide?
The InChIKey is WWLLRHVGZFPCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN5O/c1-13(11-24-15(3)8-14(2)23-24)9-21-19(26)16-10-22-25(12-16)18-6-4-17(20)5-7-18/h4-8,10,12-13H,9,11H2,1-3H3,(H,21,26).
What are the key properties of 1-(4-chlorophenyl)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]pyrazole-4-carboxamide?
1-(4-chlorophenyl)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]pyrazole-4-carboxamide has a molecular weight of 371.87 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]pyrazole-4-carboxamide is sourced from PubChem (CID 55783966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).