5-[[2-chloro-5-(6-methoxy-2-pyridinyl)benzoyl]amino]-1-phenylpyrazole-3-carboxamide

C23H18ClN5O3 — CID 118505212

IUPAC5-[[2-chloro-5-(6-methoxy-2-pyridinyl)benzoyl]amino]-1-phenylpyrazole-3-carboxamide
SMILESCOc1cccc(-c2ccc(Cl)c(C(=O)Nc3cc(C(N)=O)nn3-c3ccccc3)c2)n1
InChIInChI=1S/C23H18ClN5O3/c1-32-21-9-5-8-18(26-21)14-10-11-17(24)16(12-14)23(31)27-20-13-19(22(25)30)28-29(20)15-6-3-2-4-7-15/h2-13H,1H3,(H2,25,30)(H,27,31)
InChIKeyWIOIZVPBAVBFAH-UHFFFAOYSA-N
MW447.88 g/mol
LogP3.95
Rot. Bonds6

About 5-[[2-chloro-5-(6-methoxy-2-pyridinyl)benzoyl]amino]-1-phenylpyrazole-3-carboxamide

5-[[2-chloro-5-(6-methoxy-2-pyridinyl)benzoyl]amino]-1-phenylpyrazole-3-carboxamide (PubChem CID 118505212) has the molecular formula C23H18ClN5O3 and a molecular weight of 447.88 g/mol. Its IUPAC name is 5-[[2-chloro-5-(6-methoxy-2-pyridinyl)benzoyl]amino]-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[[2-chloro-5-(6-methoxy-2-pyridinyl)benzoyl]amino]-1-phenylpyrazole-3-carboxamide
PubChem CID118505212
Molecular FormulaC23H18ClN5O3
Molecular Weight447.88 g/mol
Exact Mass447.11
IUPAC Name5-[[2-chloro-5-(6-methoxy-2-pyridinyl)benzoyl]amino]-1-phenylpyrazole-3-carboxamide
SMILESCOc1cccc(-c2ccc(Cl)c(C(=O)Nc3cc(C(N)=O)nn3-c3ccccc3)c2)n1
InChIInChI=1S/C23H18ClN5O3/c1-32-21-9-5-8-18(26-21)14-10-11-17(24)16(12-14)23(31)27-20-13-19(22(25)30)28-29(20)15-6-3-2-4-7-15/h2-13H,1H3,(H2,25,30)(H,27,31)
InChIKeyWIOIZVPBAVBFAH-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-5-(6-methoxy-2-pyridinyl)benzoyl]amino]-1-phenylpyrazole-3-carboxamide?
The IUPAC name of 5-[[2-chloro-5-(6-methoxy-2-pyridinyl)benzoyl]amino]-1-phenylpyrazole-3-carboxamide (CID 118505212) is 5-[[2-chloro-5-(6-methoxy-2-pyridinyl)benzoyl]amino]-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for 5-[[2-chloro-5-(6-methoxy-2-pyridinyl)benzoyl]amino]-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for 5-[[2-chloro-5-(6-methoxy-2-pyridinyl)benzoyl]amino]-1-phenylpyrazole-3-carboxamide is COc1cccc(-c2ccc(Cl)c(C(=O)Nc3cc(C(N)=O)nn3-c3ccccc3)c2)n1.
What is the InChIKey of 5-[[2-chloro-5-(6-methoxy-2-pyridinyl)benzoyl]amino]-1-phenylpyrazole-3-carboxamide?
The InChIKey is WIOIZVPBAVBFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN5O3/c1-32-21-9-5-8-18(26-21)14-10-11-17(24)16(12-14)23(31)27-20-13-19(22(25)30)28-29(20)15-6-3-2-4-7-15/h2-13H,1H3,(H2,25,30)(H,27,31).
What are the key properties of 5-[[2-chloro-5-(6-methoxy-2-pyridinyl)benzoyl]amino]-1-phenylpyrazole-3-carboxamide?
5-[[2-chloro-5-(6-methoxy-2-pyridinyl)benzoyl]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-5-(6-methoxy-2-pyridinyl)benzoyl]amino]-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 118505212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).