5-chloro-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide

C24H25ClN4O2 — CID 55783366

IUPAC5-chloro-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
SMILESCc1ccc(Cn2nc(C)c(C(=O)Nc3cc(C(=O)NC4CC4)ccc3C)c2Cl)cc1
InChIInChI=1S/C24H25ClN4O2/c1-14-4-7-17(8-5-14)13-29-22(25)21(16(3)28-29)24(31)27-20-12-18(9-6-15(20)2)23(30)26-19-10-11-19/h4-9,12,19H,10-11,13H2,1-3H3,(H,26,30)(H,27,31)
InChIKeyLPLUZQWNLJPHHA-UHFFFAOYSA-N
MW436.94 g/mol
LogP4.65
Rot. Bonds6

About 5-chloro-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide

5-chloro-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide (PubChem CID 55783366) has the molecular formula C24H25ClN4O2 and a molecular weight of 436.94 g/mol. Its IUPAC name is 5-chloro-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
PubChem CID55783366
Molecular FormulaC24H25ClN4O2
Molecular Weight436.94 g/mol
Exact Mass436.17
IUPAC Name5-chloro-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
SMILESCc1ccc(Cn2nc(C)c(C(=O)Nc3cc(C(=O)NC4CC4)ccc3C)c2Cl)cc1
InChIInChI=1S/C24H25ClN4O2/c1-14-4-7-17(8-5-14)13-29-22(25)21(16(3)28-29)24(31)27-20-12-18(9-6-15(20)2)23(30)26-19-10-11-19/h4-9,12,19H,10-11,13H2,1-3H3,(H,26,30)(H,27,31)
InChIKeyLPLUZQWNLJPHHA-UHFFFAOYSA-N
XLogP4.65
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.94
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 56581250
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CID 52713102
5-chloro-N-(4-fluorophenyl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 18292119
1-benzyl-5-chloro-3-methyl-N-(2-methyl-5-nitrophenyl)pyrazole-4-carboxamide
CID 43025487
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 55786487
1-benzyl-5-chloro-N-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-3-methylpyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 5-chloro-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide (CID 55783366) is 5-chloro-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide is Cc1ccc(Cn2nc(C)c(C(=O)Nc3cc(C(=O)NC4CC4)ccc3C)c2Cl)cc1.
What is the InChIKey of 5-chloro-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide?
The InChIKey is LPLUZQWNLJPHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4O2/c1-14-4-7-17(8-5-14)13-29-22(25)21(16(3)28-29)24(31)27-20-12-18(9-6-15(20)2)23(30)26-19-10-11-19/h4-9,12,19H,10-11,13H2,1-3H3,(H,26,30)(H,27,31).
What are the key properties of 5-chloro-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide?
5-chloro-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide has a molecular weight of 436.94 g/mol, XLogP of 4.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 55783366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).