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

C23H18ClN5O3 — CID 118507004

IUPAC5-[(2-chloro-4-methoxy-5-pyridin-2-ylbenzoyl)amino]-1-phenylpyrazole-3-carboxamide
SMILESCOc1cc(Cl)c(C(=O)Nc2cc(C(N)=O)nn2-c2ccccc2)cc1-c1ccccn1
InChIInChI=1S/C23H18ClN5O3/c1-32-20-12-17(24)15(11-16(20)18-9-5-6-10-26-18)23(31)27-21-13-19(22(25)30)28-29(21)14-7-3-2-4-8-14/h2-13H,1H3,(H2,25,30)(H,27,31)
InChIKeyREEUULZARVBYQG-UHFFFAOYSA-N
MW447.88 g/mol
LogP3.95
Rot. Bonds6

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

5-[(2-chloro-4-methoxy-5-pyridin-2-ylbenzoyl)amino]-1-phenylpyrazole-3-carboxamide (PubChem CID 118507004) has the molecular formula C23H18ClN5O3 and a molecular weight of 447.88 g/mol. Its IUPAC name is 5-[(2-chloro-4-methoxy-5-pyridin-2-ylbenzoyl)amino]-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2-chloro-4-methoxy-5-pyridin-2-ylbenzoyl)amino]-1-phenylpyrazole-3-carboxamide
PubChem CID118507004
Molecular FormulaC23H18ClN5O3
Molecular Weight447.88 g/mol
Exact Mass447.11
IUPAC Name5-[(2-chloro-4-methoxy-5-pyridin-2-ylbenzoyl)amino]-1-phenylpyrazole-3-carboxamide
SMILESCOc1cc(Cl)c(C(=O)Nc2cc(C(N)=O)nn2-c2ccccc2)cc1-c1ccccn1
InChIInChI=1S/C23H18ClN5O3/c1-32-20-12-17(24)15(11-16(20)18-9-5-6-10-26-18)23(31)27-21-13-19(22(25)30)28-29(21)14-7-3-2-4-8-14/h2-13H,1H3,(H2,25,30)(H,27,31)
InChIKeyREEUULZARVBYQG-UHFFFAOYSA-N
XLogP3.95
TPSA112.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.88
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-4-methoxy-5-pyridin-2-ylbenzoyl)amino]-1-phenylpyrazole-3-carboxamide?
The IUPAC name of 5-[(2-chloro-4-methoxy-5-pyridin-2-ylbenzoyl)amino]-1-phenylpyrazole-3-carboxamide (CID 118507004) is 5-[(2-chloro-4-methoxy-5-pyridin-2-ylbenzoyl)amino]-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for 5-[(2-chloro-4-methoxy-5-pyridin-2-ylbenzoyl)amino]-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for 5-[(2-chloro-4-methoxy-5-pyridin-2-ylbenzoyl)amino]-1-phenylpyrazole-3-carboxamide is COc1cc(Cl)c(C(=O)Nc2cc(C(N)=O)nn2-c2ccccc2)cc1-c1ccccn1.
What is the InChIKey of 5-[(2-chloro-4-methoxy-5-pyridin-2-ylbenzoyl)amino]-1-phenylpyrazole-3-carboxamide?
The InChIKey is REEUULZARVBYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN5O3/c1-32-20-12-17(24)15(11-16(20)18-9-5-6-10-26-18)23(31)27-21-13-19(22(25)30)28-29(21)14-7-3-2-4-8-14/h2-13H,1H3,(H2,25,30)(H,27,31).
What are the key properties of 5-[(2-chloro-4-methoxy-5-pyridin-2-ylbenzoyl)amino]-1-phenylpyrazole-3-carboxamide?
5-[(2-chloro-4-methoxy-5-pyridin-2-ylbenzoyl)amino]-1-phenylpyrazole-3-carboxamide has a molecular weight of 447.88 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-4-methoxy-5-pyridin-2-ylbenzoyl)amino]-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 118507004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).