N-phenyl-5-(pyridin-4-ylmethylamino)-1H-pyrazole-4-carboxamide

C16H15N5O — CID 24874387

IUPACN-phenyl-5-(pyridin-4-ylmethylamino)-1H-pyrazole-4-carboxamide
SMILESO=C(Nc1ccccc1)c1cn[nH]c1NCc1ccncc1
InChIInChI=1S/C16H15N5O/c22-16(20-13-4-2-1-3-5-13)14-11-19-21-15(14)18-10-12-6-8-17-9-7-12/h1-9,11H,10H2,(H,20,22)(H2,18,19,21)
InChIKeyCLVOWXYXNSBONF-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.67
Rot. Bonds5

About N-phenyl-5-(pyridin-4-ylmethylamino)-1H-pyrazole-4-carboxamide

N-phenyl-5-(pyridin-4-ylmethylamino)-1H-pyrazole-4-carboxamide (PubChem CID 24874387) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is N-phenyl-5-(pyridin-4-ylmethylamino)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-phenyl-5-(pyridin-4-ylmethylamino)-1H-pyrazole-4-carboxamide
PubChem CID24874387
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC NameN-phenyl-5-(pyridin-4-ylmethylamino)-1H-pyrazole-4-carboxamide
SMILESO=C(Nc1ccccc1)c1cn[nH]c1NCc1ccncc1
InChIInChI=1S/C16H15N5O/c22-16(20-13-4-2-1-3-5-13)14-11-19-21-15(14)18-10-12-6-8-17-9-7-12/h1-9,11H,10H2,(H,20,22)(H2,18,19,21)
InChIKeyCLVOWXYXNSBONF-UHFFFAOYSA-N
XLogP2.67
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 112983118
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N-phenyl-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
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2-phenyl-N-[4-(pyridin-4-ylmethylamino)phenyl]acetamide
CID 112983139
N-(4-fluorophenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
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N-phenyl-4-(pyridin-4-ylmethylcarbamoylamino)benzamide
CID 135223119
N,4-diphenylpyridine-3-carboxamide
CID 13115140
N-(4-phenoxyphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide;hydrochloride
CID 22249212
N-(3-phenoxyphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 20773471
2-anilino-N-(pyridin-4-ylmethyl)benzamide
CID 17396496
2,2-dimethyl-N-phenyl-N'-(pyridin-4-ylmethyl)propanediamide
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CID 11326111

Frequently Asked Questions

What is the IUPAC name of N-phenyl-5-(pyridin-4-ylmethylamino)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-phenyl-5-(pyridin-4-ylmethylamino)-1H-pyrazole-4-carboxamide (CID 24874387) is N-phenyl-5-(pyridin-4-ylmethylamino)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-phenyl-5-(pyridin-4-ylmethylamino)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-phenyl-5-(pyridin-4-ylmethylamino)-1H-pyrazole-4-carboxamide is O=C(Nc1ccccc1)c1cn[nH]c1NCc1ccncc1.
What is the InChIKey of N-phenyl-5-(pyridin-4-ylmethylamino)-1H-pyrazole-4-carboxamide?
The InChIKey is CLVOWXYXNSBONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c22-16(20-13-4-2-1-3-5-13)14-11-19-21-15(14)18-10-12-6-8-17-9-7-12/h1-9,11H,10H2,(H,20,22)(H2,18,19,21).
What are the key properties of N-phenyl-5-(pyridin-4-ylmethylamino)-1H-pyrazole-4-carboxamide?
N-phenyl-5-(pyridin-4-ylmethylamino)-1H-pyrazole-4-carboxamide has a molecular weight of 293.33 g/mol, XLogP of 2.67, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-5-(pyridin-4-ylmethylamino)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 24874387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).