1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[3-(1-methyltetrazol-5-yl)phenyl]pyrazole-4-carboxamide

C22H20ClN7O — CID 46576352

IUPAC1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[3-(1-methyltetrazol-5-yl)phenyl]pyrazole-4-carboxamide
SMILESCc1ccc(-n2ncc(C(=O)Nc3cccc(-c4nnnn4C)c3)c2C2CC2)cc1Cl
InChIInChI=1S/C22H20ClN7O/c1-13-6-9-17(11-19(13)23)30-20(14-7-8-14)18(12-24-30)22(31)25-16-5-3-4-15(10-16)21-26-27-28-29(21)2/h3-6,9-12,14H,7-8H2,1-2H3,(H,25,31)
InChIKeyDHEIDOLYFMDQFP-UHFFFAOYSA-N
MW433.90 g/mol
LogP4.15
Rot. Bonds5

About 1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[3-(1-methyltetrazol-5-yl)phenyl]pyrazole-4-carboxamide

1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[3-(1-methyltetrazol-5-yl)phenyl]pyrazole-4-carboxamide (PubChem CID 46576352) has the molecular formula C22H20ClN7O and a molecular weight of 433.90 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[3-(1-methyltetrazol-5-yl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[3-(1-methyltetrazol-5-yl)phenyl]pyrazole-4-carboxamide
PubChem CID46576352
Molecular FormulaC22H20ClN7O
Molecular Weight433.90 g/mol
Exact Mass433.14
IUPAC Name1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[3-(1-methyltetrazol-5-yl)phenyl]pyrazole-4-carboxamide
SMILESCc1ccc(-n2ncc(C(=O)Nc3cccc(-c4nnnn4C)c3)c2C2CC2)cc1Cl
InChIInChI=1S/C22H20ClN7O/c1-13-6-9-17(11-19(13)23)30-20(14-7-8-14)18(12-24-30)22(31)25-16-5-3-4-15(10-16)21-26-27-28-29(21)2/h3-6,9-12,14H,7-8H2,1-2H3,(H,25,31)
InChIKeyDHEIDOLYFMDQFP-UHFFFAOYSA-N
XLogP4.15
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.90
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-acetylphenyl)-1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carboxamide
CID 55604602
5-methyl-N-[3-(1-methyltetrazol-5-yl)phenyl]-1-phenylpyrazole-4-carboxamide
CID 41360742
1-(3-chloro-4-methylphenyl)-N-(3,4-dimethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20867343
1-(3-chloro-4-methylphenyl)-N-(3,5-dimethoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146051847
1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide
CID 119503054
1-(3-chloro-4-methylphenyl)-N-(2,3-dimethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20867340
3-cyano-6-cyclopropyl-2-methylsulfanyl-N-[3-(1-methyltetrazol-5-yl)phenyl]pyridine-4-carboxamide
CID 30414977
5,6-dichloro-N-[3-(1-methyltetrazol-5-yl)phenyl]pyridine-3-carboxamide
CID 51304309
1-(3-chloro-4-methylphenyl)-N-(2,5-dimethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20924089
2-bromo-N-[3-(1-methyltetrazol-5-yl)phenyl]benzamide
CID 17422742
3-chloro-N-[3-(1-methyltetrazol-5-yl)phenyl]benzamide
CID 30414116
tert-butyl 4-[1-(3-chloro-4-methylphenyl)-4-[(4-methoxyphenyl)carbamoyl]pyrazol-5-yl]piperidine-1-carboxylate
CID 46256710

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[3-(1-methyltetrazol-5-yl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[3-(1-methyltetrazol-5-yl)phenyl]pyrazole-4-carboxamide (CID 46576352) is 1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[3-(1-methyltetrazol-5-yl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[3-(1-methyltetrazol-5-yl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[3-(1-methyltetrazol-5-yl)phenyl]pyrazole-4-carboxamide is Cc1ccc(-n2ncc(C(=O)Nc3cccc(-c4nnnn4C)c3)c2C2CC2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[3-(1-methyltetrazol-5-yl)phenyl]pyrazole-4-carboxamide?
The InChIKey is DHEIDOLYFMDQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN7O/c1-13-6-9-17(11-19(13)23)30-20(14-7-8-14)18(12-24-30)22(31)25-16-5-3-4-15(10-16)21-26-27-28-29(21)2/h3-6,9-12,14H,7-8H2,1-2H3,(H,25,31).
What are the key properties of 1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[3-(1-methyltetrazol-5-yl)phenyl]pyrazole-4-carboxamide?
1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[3-(1-methyltetrazol-5-yl)phenyl]pyrazole-4-carboxamide has a molecular weight of 433.90 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[3-(1-methyltetrazol-5-yl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 46576352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).