5-[[5-(6-acetamido-2-pyridinyl)-2-chlorobenzoyl]amino]-1-phenylpyrazole-3-carboxamide

C24H19ClN6O3 — CID 118497113

IUPAC5-[[5-(6-acetamido-2-pyridinyl)-2-chlorobenzoyl]amino]-1-phenylpyrazole-3-carboxamide
SMILESCC(=O)Nc1cccc(-c2ccc(Cl)c(C(=O)Nc3cc(C(N)=O)nn3-c3ccccc3)c2)n1
InChIInChI=1S/C24H19ClN6O3/c1-14(32)27-21-9-5-8-19(28-21)15-10-11-18(25)17(12-15)24(34)29-22-13-20(23(26)33)30-31(22)16-6-3-2-4-7-16/h2-13H,1H3,(H2,26,33)(H,29,34)(H,27,28,32)
InChIKeyFARAYTFPQFYYFB-UHFFFAOYSA-N
MW474.91 g/mol
LogP3.90
Rot. Bonds6

About 5-[[5-(6-acetamido-2-pyridinyl)-2-chlorobenzoyl]amino]-1-phenylpyrazole-3-carboxamide

5-[[5-(6-acetamido-2-pyridinyl)-2-chlorobenzoyl]amino]-1-phenylpyrazole-3-carboxamide (PubChem CID 118497113) has the molecular formula C24H19ClN6O3 and a molecular weight of 474.91 g/mol. Its IUPAC name is 5-[[5-(6-acetamido-2-pyridinyl)-2-chlorobenzoyl]amino]-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[[5-(6-acetamido-2-pyridinyl)-2-chlorobenzoyl]amino]-1-phenylpyrazole-3-carboxamide
PubChem CID118497113
Molecular FormulaC24H19ClN6O3
Molecular Weight474.91 g/mol
Exact Mass474.12
IUPAC Name5-[[5-(6-acetamido-2-pyridinyl)-2-chlorobenzoyl]amino]-1-phenylpyrazole-3-carboxamide
SMILESCC(=O)Nc1cccc(-c2ccc(Cl)c(C(=O)Nc3cc(C(N)=O)nn3-c3ccccc3)c2)n1
InChIInChI=1S/C24H19ClN6O3/c1-14(32)27-21-9-5-8-19(28-21)15-10-11-18(25)17(12-15)24(34)29-22-13-20(23(26)33)30-31(22)16-6-3-2-4-7-16/h2-13H,1H3,(H2,26,33)(H,29,34)(H,27,28,32)
InChIKeyFARAYTFPQFYYFB-UHFFFAOYSA-N
XLogP3.90
TPSA132.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.91
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-(6-acetamido-2-pyridinyl)-2-chlorobenzoyl]amino]-1-phenylpyrazole-3-carboxamide?
The IUPAC name of 5-[[5-(6-acetamido-2-pyridinyl)-2-chlorobenzoyl]amino]-1-phenylpyrazole-3-carboxamide (CID 118497113) is 5-[[5-(6-acetamido-2-pyridinyl)-2-chlorobenzoyl]amino]-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for 5-[[5-(6-acetamido-2-pyridinyl)-2-chlorobenzoyl]amino]-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for 5-[[5-(6-acetamido-2-pyridinyl)-2-chlorobenzoyl]amino]-1-phenylpyrazole-3-carboxamide is CC(=O)Nc1cccc(-c2ccc(Cl)c(C(=O)Nc3cc(C(N)=O)nn3-c3ccccc3)c2)n1.
What is the InChIKey of 5-[[5-(6-acetamido-2-pyridinyl)-2-chlorobenzoyl]amino]-1-phenylpyrazole-3-carboxamide?
The InChIKey is FARAYTFPQFYYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN6O3/c1-14(32)27-21-9-5-8-19(28-21)15-10-11-18(25)17(12-15)24(34)29-22-13-20(23(26)33)30-31(22)16-6-3-2-4-7-16/h2-13H,1H3,(H2,26,33)(H,29,34)(H,27,28,32).
What are the key properties of 5-[[5-(6-acetamido-2-pyridinyl)-2-chlorobenzoyl]amino]-1-phenylpyrazole-3-carboxamide?
5-[[5-(6-acetamido-2-pyridinyl)-2-chlorobenzoyl]amino]-1-phenylpyrazole-3-carboxamide has a molecular weight of 474.91 g/mol, XLogP of 3.90, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(6-acetamido-2-pyridinyl)-2-chlorobenzoyl]amino]-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 118497113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).