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

C16H14N4O — CID 53087403

IUPACN-(3-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
SMILESCc1cccc(NC(=O)c2cc(-c3ccncc3)n[nH]2)c1
InChIInChI=1S/C16H14N4O/c1-11-3-2-4-13(9-11)18-16(21)15-10-14(19-20-15)12-5-7-17-8-6-12/h2-10H,1H3,(H,18,21)(H,19,20)
InChIKeyTUCUJNZQJGTLNH-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.03
Rot. Bonds3

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

N-(3-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide (PubChem CID 53087403) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is N-(3-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
PubChem CID53087403
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC NameN-(3-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
SMILESCc1cccc(NC(=O)c2cc(-c3ccncc3)n[nH]2)c1
InChIInChI=1S/C16H14N4O/c1-11-3-2-4-13(9-11)18-16(21)15-10-14(19-20-15)12-5-7-17-8-6-12/h2-10H,1H3,(H,18,21)(H,19,20)
InChIKeyTUCUJNZQJGTLNH-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-methylphenyl)-N-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 19510252
N-(3-chloro-2-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53087379
N-(4-bromo-2-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 110676567
N-(3,5-dimethylphenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 45030468
N-(3-bromophenyl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide
CID 53087479
N-[3-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]phenyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 134155858
3-(4-methoxyphenyl)-N-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 19508725
N-(4-chloro-2-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53087363
N-(2-chlorophenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53008238
N-(5-chloro-2-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53087364
N-(3-methylphenyl)-1-[4-[5-[(3-methylphenyl)carbamoyl]-3-pyridin-4-ylpyrazol-1-yl]butyl]-3-pyridin-4-ylpyrazole-5-carboxamide
CID 175497589
N-propan-2-yl-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53014349

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(3-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide (CID 53087403) is N-(3-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(3-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(3-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide is Cc1cccc(NC(=O)c2cc(-c3ccncc3)n[nH]2)c1.
What is the InChIKey of N-(3-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide?
The InChIKey is TUCUJNZQJGTLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c1-11-3-2-4-13(9-11)18-16(21)15-10-14(19-20-15)12-5-7-17-8-6-12/h2-10H,1H3,(H,18,21)(H,19,20).
What are the key properties of N-(3-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide?
N-(3-methylphenyl)-3-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 N-(3-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 53087403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).