N-(3-carbamoyl-2-methylphenyl)-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide

C18H15ClN4O2 — CID 34577805

IUPACN-(3-carbamoyl-2-methylphenyl)-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide
SMILESCc1c(NC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)cccc1C(N)=O
InChIInChI=1S/C18H15ClN4O2/c1-10-13(17(20)24)3-2-4-14(10)21-18(25)16-9-15(22-23-16)11-5-7-12(19)8-6-11/h2-9H,1H3,(H2,20,24)(H,21,25)(H,22,23)
InChIKeyWXJGEDKIMNATPP-UHFFFAOYSA-N
MW354.80 g/mol
LogP3.39
Rot. Bonds4

About N-(3-carbamoyl-2-methylphenyl)-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide

N-(3-carbamoyl-2-methylphenyl)-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide (PubChem CID 34577805) has the molecular formula C18H15ClN4O2 and a molecular weight of 354.80 g/mol. Its IUPAC name is N-(3-carbamoyl-2-methylphenyl)-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-2-methylphenyl)-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide
PubChem CID34577805
Molecular FormulaC18H15ClN4O2
Molecular Weight354.80 g/mol
Exact Mass354.09
IUPAC NameN-(3-carbamoyl-2-methylphenyl)-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide
SMILESCc1c(NC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)cccc1C(N)=O
InChIInChI=1S/C18H15ClN4O2/c1-10-13(17(20)24)3-2-4-14(10)21-18(25)16-9-15(22-23-16)11-5-7-12(19)8-6-11/h2-9H,1H3,(H2,20,24)(H,21,25)(H,22,23)
InChIKeyWXJGEDKIMNATPP-UHFFFAOYSA-N
XLogP3.39
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.80
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminophenyl)-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 90908320
3-(4-chlorophenyl)-N-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 45030405
N-(3-chloro-2-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53087379
3-(4-chlorophenyl)-N-(2,5-dimethylphenyl)-1H-pyrazole-5-carboxamide
CID 19509413
2-N-(3-carbamoyl-2-methylphenyl)-1H-pyrrole-2,4-dicarboxamide
CID 166225226
3-(4-chlorophenyl)-N-(3-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 46920010
3-amino-N-(3-carbamoyl-2-methylphenyl)-1H-1,2,4-triazole-5-carboxamide
CID 62805976
3-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19509351
dimethyl 2-[[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]amino]benzene-1,4-dicarboxylate
CID 45030421
N-(4-chloro-2-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53087363
N-(5-chloro-2-fluorophenyl)-3-(3-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 46920230
N-[5-chloro-2-(dimethylamino)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 56580879

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-2-methylphenyl)-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(3-carbamoyl-2-methylphenyl)-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide (CID 34577805) is N-(3-carbamoyl-2-methylphenyl)-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-2-methylphenyl)-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(3-carbamoyl-2-methylphenyl)-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide is Cc1c(NC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)cccc1C(N)=O.
What is the InChIKey of N-(3-carbamoyl-2-methylphenyl)-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is WXJGEDKIMNATPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O2/c1-10-13(17(20)24)3-2-4-14(10)21-18(25)16-9-15(22-23-16)11-5-7-12(19)8-6-11/h2-9H,1H3,(H2,20,24)(H,21,25)(H,22,23).
What are the key properties of N-(3-carbamoyl-2-methylphenyl)-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide?
N-(3-carbamoyl-2-methylphenyl)-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 354.80 g/mol, XLogP of 3.39, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-2-methylphenyl)-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 34577805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).