N-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-5-cyclopropyl-1-phenylpyrazole-4-carboxamide

C23H21ClN4O2 — CID 112846073

IUPACN-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-5-cyclopropyl-1-phenylpyrazole-4-carboxamide
SMILESO=C(NC1CC1)c1cc(NC(=O)c2cnn(-c3ccccc3)c2C2CC2)ccc1Cl
InChIInChI=1S/C23H21ClN4O2/c24-20-11-10-16(12-18(20)22(29)26-15-8-9-15)27-23(30)19-13-25-28(21(19)14-6-7-14)17-4-2-1-3-5-17/h1-5,10-15H,6-9H2,(H,26,29)(H,27,30)
InChIKeyXCNZLDOJIVXKPL-UHFFFAOYSA-N
MW420.90 g/mol
LogP4.55
Rot. Bonds6

About N-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-5-cyclopropyl-1-phenylpyrazole-4-carboxamide

N-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-5-cyclopropyl-1-phenylpyrazole-4-carboxamide (PubChem CID 112846073) has the molecular formula C23H21ClN4O2 and a molecular weight of 420.90 g/mol. Its IUPAC name is N-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-5-cyclopropyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-5-cyclopropyl-1-phenylpyrazole-4-carboxamide
PubChem CID112846073
Molecular FormulaC23H21ClN4O2
Molecular Weight420.90 g/mol
Exact Mass420.14
IUPAC NameN-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-5-cyclopropyl-1-phenylpyrazole-4-carboxamide
SMILESO=C(NC1CC1)c1cc(NC(=O)c2cnn(-c3ccccc3)c2C2CC2)ccc1Cl
InChIInChI=1S/C23H21ClN4O2/c24-20-11-10-16(12-18(20)22(29)26-15-8-9-15)27-23(30)19-13-25-28(21(19)14-6-7-14)17-4-2-1-3-5-17/h1-5,10-15H,6-9H2,(H,26,29)(H,27,30)
InChIKeyXCNZLDOJIVXKPL-UHFFFAOYSA-N
XLogP4.55
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.90
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-aminocyclohexyl)-5-cyclopropyl-1-phenylpyrazole-4-carboxamide;hydrochloride
CID 119477727
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CID 55990233
N,5-dicyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 51077946
5-cyclopropyl-N-(4-methyl-2-oxochromen-7-yl)-1-phenylpyrazole-4-carboxamide
CID 42949093
5-cyclopropyl-N-[4-(cyclopropylcarbamoyl)phenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 37032644
N-(3-acetylphenyl)-1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carboxamide
CID 55604602
N-(4-bromo-3-methylphenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20854859
N-(4-acetylphenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20953788
5-cyclopropyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-1-phenylpyrazole-4-carboxamide
CID 112828644
1-(3-chloro-4-methylphenyl)-N-(3,4-dimethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20867343
1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 55867113
5-cyclopropyl-1-(3,4-dichlorophenyl)pyrazole-4-carboxylic acid
CID 28606372

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-5-cyclopropyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-5-cyclopropyl-1-phenylpyrazole-4-carboxamide (CID 112846073) is N-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-5-cyclopropyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-5-cyclopropyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-5-cyclopropyl-1-phenylpyrazole-4-carboxamide is O=C(NC1CC1)c1cc(NC(=O)c2cnn(-c3ccccc3)c2C2CC2)ccc1Cl.
What is the InChIKey of N-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-5-cyclopropyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is XCNZLDOJIVXKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O2/c24-20-11-10-16(12-18(20)22(29)26-15-8-9-15)27-23(30)19-13-25-28(21(19)14-6-7-14)17-4-2-1-3-5-17/h1-5,10-15H,6-9H2,(H,26,29)(H,27,30).
What are the key properties of N-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-5-cyclopropyl-1-phenylpyrazole-4-carboxamide?
N-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-5-cyclopropyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 420.90 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-5-cyclopropyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 112846073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).