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

C14H14N6O — CID 95752902

IUPAC1-ethyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)pyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)Nc2cc(-c3ccncc3)[nH]n2)n1
InChIInChI=1S/C14H14N6O/c1-2-20-8-5-11(19-20)14(21)16-13-9-12(17-18-13)10-3-6-15-7-4-10/h3-9H,2H2,1H3,(H2,16,17,18,21)
InChIKeyATYMJJALMWZVGY-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.94
Rot. Bonds4

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

1-ethyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)pyrazole-3-carboxamide (PubChem CID 95752902) has the molecular formula C14H14N6O and a molecular weight of 282.31 g/mol. Its IUPAC name is 1-ethyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)pyrazole-3-carboxamide
PubChem CID95752902
Molecular FormulaC14H14N6O
Molecular Weight282.31 g/mol
Exact Mass282.12
IUPAC Name1-ethyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)pyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)Nc2cc(-c3ccncc3)[nH]n2)n1
InChIInChI=1S/C14H14N6O/c1-2-20-8-5-11(19-20)14(21)16-13-9-12(17-18-13)10-3-6-15-7-4-10/h3-9H,2H2,1H3,(H2,16,17,18,21)
InChIKeyATYMJJALMWZVGY-UHFFFAOYSA-N
XLogP1.94
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-1-ethylpyrazole-3-carboxamide
CID 95755153
N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide
CID 95752913
1,5-dimethyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)pyrazole-3-carboxamide
CID 95752897
N-(1-ethylpyrazol-3-yl)pyridine-2-carboxamide
CID 35286531
N-(3-acetamidophenyl)-1-ethylpyrazole-3-carboxamide
CID 6470772
N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyridine-2-carboxamide
CID 167971745
3-methyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)benzamide
CID 95753070
1-ethyl-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
CID 19284975
5-bromo-2-chloro-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)benzamide
CID 95753152
4-[(4-chloropyrazol-1-yl)methyl]-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)benzamide
CID 75358528
N-(3-bromophenyl)-1-ethylpyrazole-3-carboxamide
CID 6466747
N,1-diethylpyrazole-3-carboxamide
CID 19262384

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)pyrazole-3-carboxamide?
The IUPAC name of 1-ethyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)pyrazole-3-carboxamide (CID 95752902) is 1-ethyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1-ethyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)pyrazole-3-carboxamide is CCn1ccc(C(=O)Nc2cc(-c3ccncc3)[nH]n2)n1.
What is the InChIKey of 1-ethyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)pyrazole-3-carboxamide?
The InChIKey is ATYMJJALMWZVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O/c1-2-20-8-5-11(19-20)14(21)16-13-9-12(17-18-13)10-3-6-15-7-4-10/h3-9H,2H2,1H3,(H2,16,17,18,21).
What are the key properties of 1-ethyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)pyrazole-3-carboxamide?
1-ethyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)pyrazole-3-carboxamide has a molecular weight of 282.31 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 95752902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).