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
SMILESCC1=CC(=C(C=C1C2=CC=CC=N2)C(=O)NC3=CC(=NN3C4=CC=CC=C4)C(=O)N)Cl
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
MW431.90 g/mol
LogP3.90
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 431.90 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 Weight431.90 g/mol
Exact Mass431.11
IUPAC Name5-[(2-chloro-4-methyl-5-pyridin-2-ylbenzoyl)amino]-1-phenylpyrazole-3-carboxamide
SMILESCC1=CC(=C(C=C1C2=CC=CC=N2)C(=O)NC3=CC(=NN3C4=CC=CC=C4)C(=O)N)Cl
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
XLogP3.90
TPSA103.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity643

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.90
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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 CC1=CC(=C(C=C1C2=CC=CC=N2)C(=O)NC3=CC(=NN3C4=CC=CC=C4)C(=O)N)Cl.
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 431.90 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 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).