N-(4-ethoxyphenyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide

C17H16N4O2 — CID 22576776

IUPACN-(4-ethoxyphenyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc(-c3ccccn3)n[nH]2)cc1
InChIInChI=1S/C17H16N4O2/c1-2-23-13-8-6-12(7-9-13)19-17(22)16-11-15(20-21-16)14-5-3-4-10-18-14/h3-11H,2H2,1H3,(H,19,22)(H,20,21)
InChIKeyVIXMGXSZRUHLSJ-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.12
Rot. Bonds5

About N-(4-ethoxyphenyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide

N-(4-ethoxyphenyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide (PubChem CID 22576776) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
PubChem CID22576776
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC NameN-(4-ethoxyphenyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc(-c3ccccn3)n[nH]2)cc1
InChIInChI=1S/C17H16N4O2/c1-2-23-13-8-6-12(7-9-13)19-17(22)16-11-15(20-21-16)14-5-3-4-10-18-14/h3-11H,2H2,1H3,(H,19,22)(H,20,21)
InChIKeyVIXMGXSZRUHLSJ-UHFFFAOYSA-N
XLogP3.12
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 26586379
3-(4-ethoxyphenyl)-N-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46856766
N-(3,4-dimethoxyphenyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 46352005
3-(3,4-dichlorophenyl)-N-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19513551
3-(2,4-dichlorophenyl)-N-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509972
N-(2-ethyl-3H-benzimidazol-5-yl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 46964446
N-(4-ethoxyphenyl)-2-pyridin-2-yl-1,3-oxazole-4-carboxamide
CID 155776672
N-(2,5-dimethoxyphenyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 46352014
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 146153635
N-(3-methylsulfanylphenyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 22576795
3-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46856755
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 26737436

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide (CID 22576776) is N-(4-ethoxyphenyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide is CCOc1ccc(NC(=O)c2cc(-c3ccccn3)n[nH]2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide?
The InChIKey is VIXMGXSZRUHLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-2-23-13-8-6-12(7-9-13)19-17(22)16-11-15(20-21-16)14-5-3-4-10-18-14/h3-11H,2H2,1H3,(H,19,22)(H,20,21).
What are the key properties of N-(4-ethoxyphenyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide?
N-(4-ethoxyphenyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 22576776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).