4-bromo-3-[(2-chlorobenzoyl)amino]-N-pyridin-4-yl-1H-pyrazole-5-carboxamide

C16H11BrClN5O2 — CID 11373520

IUPAC4-bromo-3-[(2-chlorobenzoyl)amino]-N-pyridin-4-yl-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1n[nH]c(C(=O)Nc2ccncc2)c1Br)c1ccccc1Cl
InChIInChI=1S/C16H11BrClN5O2/c17-12-13(16(25)20-9-5-7-19-8-6-9)22-23-14(12)21-15(24)10-3-1-2-4-11(10)18/h1-8H,(H,19,20,25)(H2,21,22,23,24)
InChIKeyJNJVTOBXNJQOIB-UHFFFAOYSA-N
MW420.65 g/mol
LogP3.73
Rot. Bonds4

About 4-bromo-3-[(2-chlorobenzoyl)amino]-N-pyridin-4-yl-1H-pyrazole-5-carboxamide

4-bromo-3-[(2-chlorobenzoyl)amino]-N-pyridin-4-yl-1H-pyrazole-5-carboxamide (PubChem CID 11373520) has the molecular formula C16H11BrClN5O2 and a molecular weight of 420.65 g/mol. Its IUPAC name is 4-bromo-3-[(2-chlorobenzoyl)amino]-N-pyridin-4-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-bromo-3-[(2-chlorobenzoyl)amino]-N-pyridin-4-yl-1H-pyrazole-5-carboxamide
PubChem CID11373520
Molecular FormulaC16H11BrClN5O2
Molecular Weight420.65 g/mol
Exact Mass418.98
IUPAC Name4-bromo-3-[(2-chlorobenzoyl)amino]-N-pyridin-4-yl-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1n[nH]c(C(=O)Nc2ccncc2)c1Br)c1ccccc1Cl
InChIInChI=1S/C16H11BrClN5O2/c17-12-13(16(25)20-9-5-7-19-8-6-9)22-23-14(12)21-15(24)10-3-1-2-4-11(10)18/h1-8H,(H,19,20,25)(H2,21,22,23,24)
InChIKeyJNJVTOBXNJQOIB-UHFFFAOYSA-N
XLogP3.73
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.65
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-[(2-chlorobenzoyl)amino]-N-pyridin-4-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-bromo-3-[(2-chlorobenzoyl)amino]-N-pyridin-4-yl-1H-pyrazole-5-carboxamide (CID 11373520) is 4-bromo-3-[(2-chlorobenzoyl)amino]-N-pyridin-4-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-bromo-3-[(2-chlorobenzoyl)amino]-N-pyridin-4-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-bromo-3-[(2-chlorobenzoyl)amino]-N-pyridin-4-yl-1H-pyrazole-5-carboxamide is O=C(Nc1n[nH]c(C(=O)Nc2ccncc2)c1Br)c1ccccc1Cl.
What is the InChIKey of 4-bromo-3-[(2-chlorobenzoyl)amino]-N-pyridin-4-yl-1H-pyrazole-5-carboxamide?
The InChIKey is JNJVTOBXNJQOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrClN5O2/c17-12-13(16(25)20-9-5-7-19-8-6-9)22-23-14(12)21-15(24)10-3-1-2-4-11(10)18/h1-8H,(H,19,20,25)(H2,21,22,23,24).
What are the key properties of 4-bromo-3-[(2-chlorobenzoyl)amino]-N-pyridin-4-yl-1H-pyrazole-5-carboxamide?
4-bromo-3-[(2-chlorobenzoyl)amino]-N-pyridin-4-yl-1H-pyrazole-5-carboxamide has a molecular weight of 420.65 g/mol, XLogP of 3.73, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-[(2-chlorobenzoyl)amino]-N-pyridin-4-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 11373520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).