5-[(2-chloro-4-methyl-5-pyridin-2-ylbenzoyl)amino]-1-phenylpyrazole-3-carboxamide

C23H18ClN5O2 — CID 118505223

IUPAC5-[(2-chloro-4-methyl-5-pyridin-2-ylbenzoyl)amino]-1-phenylpyrazole-3-carboxamide
SMILESCc1cc(Cl)c(C(=O)Nc2cc(C(N)=O)nn2-c2ccccc2)cc1-c1ccccn1
InChIInChI=1S/C23H18ClN5O2/c1-14-11-18(24)17(12-16(14)19-9-5-6-10-26-19)23(31)27-21-13-20(22(25)30)28-29(21)15-7-3-2-4-8-15/h2-13H,1H3,(H2,25,30)(H,27,31)
InChIKeyKCLUHVZXIYSCNX-UHFFFAOYSA-N
MW431.88 g/mol
LogP4.25
Rot. Bonds5

About 5-[(2-chloro-4-methyl-5-pyridin-2-ylbenzoyl)amino]-1-phenylpyrazole-3-carboxamide

5-[(2-chloro-4-methyl-5-pyridin-2-ylbenzoyl)amino]-1-phenylpyrazole-3-carboxamide (PubChem CID 118505223) has the molecular formula C23H18ClN5O2 and a molecular weight of 431.88 g/mol. Its IUPAC name is 5-[(2-chloro-4-methyl-5-pyridin-2-ylbenzoyl)amino]-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2-chloro-4-methyl-5-pyridin-2-ylbenzoyl)amino]-1-phenylpyrazole-3-carboxamide
PubChem CID118505223
Molecular FormulaC23H18ClN5O2
Molecular Weight431.88 g/mol
Exact Mass431.11
IUPAC Name5-[(2-chloro-4-methyl-5-pyridin-2-ylbenzoyl)amino]-1-phenylpyrazole-3-carboxamide
SMILESCc1cc(Cl)c(C(=O)Nc2cc(C(N)=O)nn2-c2ccccc2)cc1-c1ccccn1
InChIInChI=1S/C23H18ClN5O2/c1-14-11-18(24)17(12-16(14)19-9-5-6-10-26-19)23(31)27-21-13-20(22(25)30)28-29(21)15-7-3-2-4-8-15/h2-13H,1H3,(H2,25,30)(H,27,31)
InChIKeyKCLUHVZXIYSCNX-UHFFFAOYSA-N
XLogP4.25
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.88
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-((2-Amino-5-(1-methyl-1H-pyrazol-4-yl)pyridin-3-yl)ethynyl)-N-(4-chlorophenyl)-4-methylbenzamide
CID 145996526
4-bromo-5-((2-chlorobenzoyl)amino)-1-phenyl-N-(2-(1-(4-pyridinyl)-4-piperidinyl)ethyl)-1H-pyrazole-3-carboxamide
CID 23630919
5-{[5-(6-aminopyridin-2-yl)-2-chlorobenzene-1-carbonyl]amino}-1-phenyl-1H-pyrazole-3-carboxamide
CID 118456253
5-(2,4-dichloro-5-(pyridin-2-yl)benzamido)-N-(2-hydroxy-2-methylpropyl)-1-phenyl-1H-pyrazole-3-carboxamide
CID 118497137
2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-N-(2-methylpyrazol-3-yl)acetamide
CID 57396206
[2-Chloro-4-(1-methyl-1H-pyrazol-3-yl)-phenyl]-(6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepin-6-yl)-methanone
CID 9931699
8-({5-Chloro-2-[[2-(dimethylamino)ethyl](methyl)amino]isonicotinoyl}amino)-1-(4-fluorophenyl)-4,5-dihydro-1h-benzo[g]indazole-3-carboxamide
CID 22291687
N-(6-amino-5-(2,5-dichlorophenyl)pyridin-2-yl)-1-methyl-1H-pyrazole-5-carboxamide
CID 25155168
5-[[5-(6-Amino-2-pyridinyl)-2,4-dichlorobenzoyl]amino]-1-phenylpyrazole-3-carboxamide
CID 118456250
5-[[5-(6-Amino-3-chloro-2-pyridinyl)-2-chlorobenzoyl]amino]-1-phenylpyrazole-3-carboxamide
CID 118456276
5-(2-chloro-4-fluoro-5-(3-fluoropyridin-2-yl)benzamido)-1-phenyl-1H-pyrazole-3-carboxamide
CID 118497013
N-(2-aminoethyl)-5-(2,4-dichloro-5-(pyridin-2-yl)benzamido)-1-phenyl-1H-pyrazole-3-carboxamide
CID 118497050

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-4-methyl-5-pyridin-2-ylbenzoyl)amino]-1-phenylpyrazole-3-carboxamide?
The IUPAC name of 5-[(2-chloro-4-methyl-5-pyridin-2-ylbenzoyl)amino]-1-phenylpyrazole-3-carboxamide (CID 118505223) is 5-[(2-chloro-4-methyl-5-pyridin-2-ylbenzoyl)amino]-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for 5-[(2-chloro-4-methyl-5-pyridin-2-ylbenzoyl)amino]-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for 5-[(2-chloro-4-methyl-5-pyridin-2-ylbenzoyl)amino]-1-phenylpyrazole-3-carboxamide is Cc1cc(Cl)c(C(=O)Nc2cc(C(N)=O)nn2-c2ccccc2)cc1-c1ccccn1.
What is the InChIKey of 5-[(2-chloro-4-methyl-5-pyridin-2-ylbenzoyl)amino]-1-phenylpyrazole-3-carboxamide?
The InChIKey is KCLUHVZXIYSCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN5O2/c1-14-11-18(24)17(12-16(14)19-9-5-6-10-26-19)23(31)27-21-13-20(22(25)30)28-29(21)15-7-3-2-4-8-15/h2-13H,1H3,(H2,25,30)(H,27,31).
What are the key properties of 5-[(2-chloro-4-methyl-5-pyridin-2-ylbenzoyl)amino]-1-phenylpyrazole-3-carboxamide?
5-[(2-chloro-4-methyl-5-pyridin-2-ylbenzoyl)amino]-1-phenylpyrazole-3-carboxamide has a molecular weight of 431.88 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-4-methyl-5-pyridin-2-ylbenzoyl)amino]-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 118505223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).