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

C16H14N4O — CID 19510252

IUPAC3-(4-methylphenyl)-N-pyridin-4-yl-1H-pyrazole-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3ccncc3)[nH]n2)cc1
InChIInChI=1S/C16H14N4O/c1-11-2-4-12(5-3-11)14-10-15(20-19-14)16(21)18-13-6-8-17-9-7-13/h2-10H,1H3,(H,19,20)(H,17,18,21)
InChIKeyAQESUKMDWXLVFO-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.03
Rot. Bonds3

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

3-(4-methylphenyl)-N-pyridin-4-yl-1H-pyrazole-5-carboxamide (PubChem CID 19510252) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-pyridin-4-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-methylphenyl)-N-pyridin-4-yl-1H-pyrazole-5-carboxamide
PubChem CID19510252
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC Name3-(4-methylphenyl)-N-pyridin-4-yl-1H-pyrazole-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3ccncc3)[nH]n2)cc1
InChIInChI=1S/C16H14N4O/c1-11-2-4-12(5-3-11)14-10-15(20-19-14)16(21)18-13-6-8-17-9-7-13/h2-10H,1H3,(H,19,20)(H,17,18,21)
InChIKeyAQESUKMDWXLVFO-UHFFFAOYSA-N
XLogP3.03
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methoxyphenyl)-N-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 19508725
N-(3-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53087403
3-(4-chlorophenyl)-N-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 45030405
N-(3,5-dimethylphenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 45030468
ethyl 3-[4-[(4-methylbenzoyl)amino]phenyl]-1H-pyrazole-5-carboxylate
CID 56675418
3-(4-methylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide
CID 19510274
N-(4-chloro-2-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53087363
N-(2-methyl-4-pyridinyl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide
CID 110676539
N-(4-acetamidophenyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 26273244
3-(2-hydroxyphenyl)-N-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 135555084
3-(4-fluorophenyl)-N-(4-methylsulfanylphenyl)-1H-pyrazole-5-carboxamide
CID 45030519
N-(5-chloro-2-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53087364

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-N-pyridin-4-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-methylphenyl)-N-pyridin-4-yl-1H-pyrazole-5-carboxamide (CID 19510252) is 3-(4-methylphenyl)-N-pyridin-4-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-methylphenyl)-N-pyridin-4-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-methylphenyl)-N-pyridin-4-yl-1H-pyrazole-5-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3ccncc3)[nH]n2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-N-pyridin-4-yl-1H-pyrazole-5-carboxamide?
The InChIKey is AQESUKMDWXLVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c1-11-2-4-12(5-3-11)14-10-15(20-19-14)16(21)18-13-6-8-17-9-7-13/h2-10H,1H3,(H,19,20)(H,17,18,21).
What are the key properties of 3-(4-methylphenyl)-N-pyridin-4-yl-1H-pyrazole-5-carboxamide?
3-(4-methylphenyl)-N-pyridin-4-yl-1H-pyrazole-5-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-N-pyridin-4-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19510252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).