N-(4-carbamoylphenyl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide

C16H13N5O2 — CID 71828964

IUPACN-(4-carbamoylphenyl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide
SMILESNC(=O)c1ccc(NC(=O)c2cc(-c3cccnc3)n[nH]2)cc1
InChIInChI=1S/C16H13N5O2/c17-15(22)10-3-5-12(6-4-10)19-16(23)14-8-13(20-21-14)11-2-1-7-18-9-11/h1-9H,(H2,17,22)(H,19,23)(H,20,21)
InChIKeyLVNBYWJYCGORDN-UHFFFAOYSA-N
MW307.31 g/mol
LogP1.82
Rot. Bonds4

About N-(4-carbamoylphenyl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide

N-(4-carbamoylphenyl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide (PubChem CID 71828964) has the molecular formula C16H13N5O2 and a molecular weight of 307.31 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide
PubChem CID71828964
Molecular FormulaC16H13N5O2
Molecular Weight307.31 g/mol
Exact Mass307.11
IUPAC NameN-(4-carbamoylphenyl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide
SMILESNC(=O)c1ccc(NC(=O)c2cc(-c3cccnc3)n[nH]2)cc1
InChIInChI=1S/C16H13N5O2/c17-15(22)10-3-5-12(6-4-10)19-16(23)14-8-13(20-21-14)11-2-1-7-18-9-11/h1-9H,(H2,17,22)(H,19,23)(H,20,21)
InChIKeyLVNBYWJYCGORDN-UHFFFAOYSA-N
XLogP1.82
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 26273244
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CID 19614759
N-(2-fluoro-4-methylphenyl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide
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4-fluoro-N-(2-pyridin-3-ylpyrimidin-5-yl)benzamide
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1-N,4-N-bis(4-carbamoylphenyl)benzene-1,4-dicarboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(4-carbamoylphenyl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide (CID 71828964) is N-(4-carbamoylphenyl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(4-carbamoylphenyl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(4-carbamoylphenyl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide is NC(=O)c1ccc(NC(=O)c2cc(-c3cccnc3)n[nH]2)cc1.
What is the InChIKey of N-(4-carbamoylphenyl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide?
The InChIKey is LVNBYWJYCGORDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O2/c17-15(22)10-3-5-12(6-4-10)19-16(23)14-8-13(20-21-14)11-2-1-7-18-9-11/h1-9H,(H2,17,22)(H,19,23)(H,20,21).
What are the key properties of N-(4-carbamoylphenyl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide?
N-(4-carbamoylphenyl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide has a molecular weight of 307.31 g/mol, XLogP of 1.82, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylphenyl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 71828964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).