1-(4-chlorophenyl)-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]pyrazole-4-carboxamide

C22H23ClN4O2 — CID 55892350

IUPAC1-(4-chlorophenyl)-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]pyrazole-4-carboxamide
SMILESCCC(C)(C)NC(=O)c1ccc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C22H23ClN4O2/c1-4-22(2,3)26-21(29)15-5-9-18(10-6-15)25-20(28)16-13-24-27(14-16)19-11-7-17(23)8-12-19/h5-14H,4H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyMYTOIZUXXPBJKL-UHFFFAOYSA-N
MW410.91 g/mol
LogP4.70
Rot. Bonds6

About 1-(4-chlorophenyl)-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]pyrazole-4-carboxamide

1-(4-chlorophenyl)-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]pyrazole-4-carboxamide (PubChem CID 55892350) has the molecular formula C22H23ClN4O2 and a molecular weight of 410.91 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]pyrazole-4-carboxamide
PubChem CID55892350
Molecular FormulaC22H23ClN4O2
Molecular Weight410.91 g/mol
Exact Mass410.15
IUPAC Name1-(4-chlorophenyl)-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]pyrazole-4-carboxamide
SMILESCCC(C)(C)NC(=O)c1ccc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C22H23ClN4O2/c1-4-22(2,3)26-21(29)15-5-9-18(10-6-15)25-20(28)16-13-24-27(14-16)19-11-7-17(23)8-12-19/h5-14H,4H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyMYTOIZUXXPBJKL-UHFFFAOYSA-N
XLogP4.70
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.91
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

S-[4-[[1-(4-chlorophenyl)pyrazole-4-carbonyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56532930
1-(4-chlorophenyl)-N-[4-(dimethylamino)-3-methylphenyl]pyrazole-4-carboxamide
CID 55774788
N-(1-amino-2,3-dimethylbutan-2-yl)-1-(4-chlorophenyl)pyrazole-4-carboxamide;hydrochloride
CID 119607994
4-amino-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide
CID 119738238
N-(1-amino-2-cyclopropylpropan-2-yl)-1-(4-chlorophenyl)pyrazole-4-carboxamide
CID 119574896
1-(4-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 20931902
1-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazole-4-carboxamide
CID 50772918
1-(3-chlorophenyl)-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrazole-4-carboxamide
CID 112845235
1-(4-bromophenyl)-5-methyl-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]pyrazole-4-carboxamide
CID 55892348
1-phenyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 25468256
4-[(4-chlorophenyl)sulfonylamino]-N-(2-methylbutan-2-yl)benzamide
CID 94621798
4-[[1-(3-chlorophenyl)pyrazole-4-carbonyl]amino]-4-methylpentanoic acid
CID 119204645

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]pyrazole-4-carboxamide (CID 55892350) is 1-(4-chlorophenyl)-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]pyrazole-4-carboxamide is CCC(C)(C)NC(=O)c1ccc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]pyrazole-4-carboxamide?
The InChIKey is MYTOIZUXXPBJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O2/c1-4-22(2,3)26-21(29)15-5-9-18(10-6-15)25-20(28)16-13-24-27(14-16)19-11-7-17(23)8-12-19/h5-14H,4H2,1-3H3,(H,25,28)(H,26,29).
What are the key properties of 1-(4-chlorophenyl)-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]pyrazole-4-carboxamide?
1-(4-chlorophenyl)-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]pyrazole-4-carboxamide has a molecular weight of 410.91 g/mol, XLogP of 4.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 55892350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).