1-[(2-chlorophenyl)methyl]-N-[4-(2,2-dimethylpropanoylamino)phenyl]pyrazole-4-carboxamide

C22H23ClN4O2 — CID 24641718

IUPAC1-[(2-chlorophenyl)methyl]-N-[4-(2,2-dimethylpropanoylamino)phenyl]pyrazole-4-carboxamide
SMILESCC(C)(C)C(=O)Nc1ccc(NC(=O)c2cnn(Cc3ccccc3Cl)c2)cc1
InChIInChI=1S/C22H23ClN4O2/c1-22(2,3)21(29)26-18-10-8-17(9-11-18)25-20(28)16-12-24-27(14-16)13-15-6-4-5-7-19(15)23/h4-12,14H,13H2,1-3H3,(H,25,28)(H,26,29)
InChIKeySVBAYDQTTUWFDI-UHFFFAOYSA-N
MW410.91 g/mol
LogP4.82
Rot. Bonds5

About 1-[(2-chlorophenyl)methyl]-N-[4-(2,2-dimethylpropanoylamino)phenyl]pyrazole-4-carboxamide

1-[(2-chlorophenyl)methyl]-N-[4-(2,2-dimethylpropanoylamino)phenyl]pyrazole-4-carboxamide (PubChem CID 24641718) has the molecular formula C22H23ClN4O2 and a molecular weight of 410.91 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-N-[4-(2,2-dimethylpropanoylamino)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-N-[4-(2,2-dimethylpropanoylamino)phenyl]pyrazole-4-carboxamide
PubChem CID24641718
Molecular FormulaC22H23ClN4O2
Molecular Weight410.91 g/mol
Exact Mass410.15
IUPAC Name1-[(2-chlorophenyl)methyl]-N-[4-(2,2-dimethylpropanoylamino)phenyl]pyrazole-4-carboxamide
SMILESCC(C)(C)C(=O)Nc1ccc(NC(=O)c2cnn(Cc3ccccc3Cl)c2)cc1
InChIInChI=1S/C22H23ClN4O2/c1-22(2,3)21(29)26-18-10-8-17(9-11-18)25-20(28)16-12-24-27(14-16)13-15-6-4-5-7-19(15)23/h4-12,14H,13H2,1-3H3,(H,25,28)(H,26,29)
InChIKeySVBAYDQTTUWFDI-UHFFFAOYSA-N
XLogP4.82
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.91
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-chlorophenyl)methyl]-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]pyrazole-4-carboxamide
CID 39723136
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1-[(2-chlorophenyl)methyl]-N-[3-(methylcarbamoyl)phenyl]pyrazole-4-carboxamide
CID 17476630
1-[(2-chlorophenyl)methyl]-N-[3-(hydroxymethyl)phenyl]pyrazole-4-carboxamide
CID 110882308
1-[(2-chlorophenyl)methyl]-N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]pyrazole-4-carboxamide
CID 55963403
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CID 60557805
1-[(2-chlorophenyl)methyl]-N-(2,3-dihydro-1-benzofuran-5-yl)pyrazole-4-carboxamide
CID 38588800
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1-[(2-chlorophenyl)methyl]-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]pyrazole-4-carboxamide
CID 24559888
N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-1-[(2-chlorophenyl)methyl]pyrazole-4-carboxamide
CID 55906262
1-[3-[[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]amino]-3-oxopropyl]pyrazole-4-carboxylic acid
CID 19483009
1-[(2-chlorophenyl)methyl]-N-(4-methyl-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-N-[4-(2,2-dimethylpropanoylamino)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-N-[4-(2,2-dimethylpropanoylamino)phenyl]pyrazole-4-carboxamide (CID 24641718) is 1-[(2-chlorophenyl)methyl]-N-[4-(2,2-dimethylpropanoylamino)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-N-[4-(2,2-dimethylpropanoylamino)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-N-[4-(2,2-dimethylpropanoylamino)phenyl]pyrazole-4-carboxamide is CC(C)(C)C(=O)Nc1ccc(NC(=O)c2cnn(Cc3ccccc3Cl)c2)cc1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-N-[4-(2,2-dimethylpropanoylamino)phenyl]pyrazole-4-carboxamide?
The InChIKey is SVBAYDQTTUWFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O2/c1-22(2,3)21(29)26-18-10-8-17(9-11-18)25-20(28)16-12-24-27(14-16)13-15-6-4-5-7-19(15)23/h4-12,14H,13H2,1-3H3,(H,25,28)(H,26,29).
What are the key properties of 1-[(2-chlorophenyl)methyl]-N-[4-(2,2-dimethylpropanoylamino)phenyl]pyrazole-4-carboxamide?
1-[(2-chlorophenyl)methyl]-N-[4-(2,2-dimethylpropanoylamino)phenyl]pyrazole-4-carboxamide has a molecular weight of 410.91 g/mol, XLogP of 4.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-N-[4-(2,2-dimethylpropanoylamino)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 24641718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).