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

C16H14N4O2 — CID 19508725

IUPAC3-(4-methoxyphenyl)-N-pyridin-4-yl-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3ccncc3)[nH]n2)cc1
InChIInChI=1S/C16H14N4O2/c1-22-13-4-2-11(3-5-13)14-10-15(20-19-14)16(21)18-12-6-8-17-9-7-12/h2-10H,1H3,(H,19,20)(H,17,18,21)
InChIKeyROOVEIQPEUPKRW-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.73
Rot. Bonds4

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

3-(4-methoxyphenyl)-N-pyridin-4-yl-1H-pyrazole-5-carboxamide (PubChem CID 19508725) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-pyridin-4-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-pyridin-4-yl-1H-pyrazole-5-carboxamide
PubChem CID19508725
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name3-(4-methoxyphenyl)-N-pyridin-4-yl-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3ccncc3)[nH]n2)cc1
InChIInChI=1S/C16H14N4O2/c1-22-13-4-2-11(3-5-13)14-10-15(20-19-14)16(21)18-12-6-8-17-9-7-12/h2-10H,1H3,(H,19,20)(H,17,18,21)
InChIKeyROOVEIQPEUPKRW-UHFFFAOYSA-N
XLogP2.73
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methylphenyl)-N-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 19510252
3-(4-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 19508730
N-[4-(diethylamino)phenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19508699
N-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 45030480
N-[4-(difluoromethoxy)-3-methoxyphenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19508924
3-(4-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)-1H-pyrazole-5-carboxamide
CID 71706566
3-(2,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46920273
N-(2-fluoro-5-methylphenyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19508782
N-(3-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53087403
N-(2,4-dimethoxyphenyl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 30000054
3-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
CID 70732817
N-(3-hydroxypropyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 71569743

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-pyridin-4-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-pyridin-4-yl-1H-pyrazole-5-carboxamide (CID 19508725) is 3-(4-methoxyphenyl)-N-pyridin-4-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-pyridin-4-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-pyridin-4-yl-1H-pyrazole-5-carboxamide is COc1ccc(-c2cc(C(=O)Nc3ccncc3)[nH]n2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-pyridin-4-yl-1H-pyrazole-5-carboxamide?
The InChIKey is ROOVEIQPEUPKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-22-13-4-2-11(3-5-13)14-10-15(20-19-14)16(21)18-12-6-8-17-9-7-12/h2-10H,1H3,(H,19,20)(H,17,18,21).
What are the key properties of 3-(4-methoxyphenyl)-N-pyridin-4-yl-1H-pyrazole-5-carboxamide?
3-(4-methoxyphenyl)-N-pyridin-4-yl-1H-pyrazole-5-carboxamide has a molecular weight of 294.31 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-pyridin-4-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19508725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).