N-ethyl-3-phenyl-4-(1,2,4-triazol-1-yl)pyrazole-1-carboxamide

C14H14N6O — CID 1486536

IUPACN-ethyl-3-phenyl-4-(1,2,4-triazol-1-yl)pyrazole-1-carboxamide
SMILESCCNC(=O)n1cc(-n2cncn2)c(-c2ccccc2)n1
InChIInChI=1S/C14H14N6O/c1-2-16-14(21)19-8-12(20-10-15-9-17-20)13(18-19)11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H,16,21)
InChIKeyMONOJCRTUSPWEI-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.71
Rot. Bonds3

About N-ethyl-3-phenyl-4-(1,2,4-triazol-1-yl)pyrazole-1-carboxamide

N-ethyl-3-phenyl-4-(1,2,4-triazol-1-yl)pyrazole-1-carboxamide (PubChem CID 1486536) has the molecular formula C14H14N6O and a molecular weight of 282.31 g/mol. Its IUPAC name is N-ethyl-3-phenyl-4-(1,2,4-triazol-1-yl)pyrazole-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-phenyl-4-(1,2,4-triazol-1-yl)pyrazole-1-carboxamide
PubChem CID1486536
Molecular FormulaC14H14N6O
Molecular Weight282.31 g/mol
Exact Mass282.12
IUPAC NameN-ethyl-3-phenyl-4-(1,2,4-triazol-1-yl)pyrazole-1-carboxamide
SMILESCCNC(=O)n1cc(-n2cncn2)c(-c2ccccc2)n1
InChIInChI=1S/C14H14N6O/c1-2-16-14(21)19-8-12(20-10-15-9-17-20)13(18-19)11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H,16,21)
InChIKeyMONOJCRTUSPWEI-UHFFFAOYSA-N
XLogP1.71
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]ethanamine
CID 43282075
4-[(1,3-diphenylpyrazol-4-yl)methyl]-N-ethylpiperazine-1-carboxamide
CID 78818653
acetylene;1-phenyl-1,2,4-triazole;propane
CID 142158899
2-(1,2,4-triazol-1-yl)benzoic acid;hydrochloride
CID 50853299
2-chloro-N,N-diethyl-6-(1,2,4-triazol-1-yl)benzamide
CID 166671176
ethyl 2-hydroxy-2-[2-(1,2,4-triazol-1-yl)phenyl]acetate
CID 117369882
N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-2-(1,2,4-triazol-1-yl)benzamide
CID 131918728
5-methyl-3-phenyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide
CID 154822330
1-ethyl-3-(2-phenylethyl)-2-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]guanidine;hydroiodide
CID 111134206
4-oxo-4-[2-(1,2,4-triazol-1-yl)anilino]butanoic acid
CID 54867933
N-[2-(diethylamino)-2-phenylethyl]-4-(1,2,4-triazol-1-yl)benzamide
CID 18167141
(1,3-diphenylpyrazol-4-yl)methyl-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-methylazanium
CID 8915264

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-phenyl-4-(1,2,4-triazol-1-yl)pyrazole-1-carboxamide?
The IUPAC name of N-ethyl-3-phenyl-4-(1,2,4-triazol-1-yl)pyrazole-1-carboxamide (CID 1486536) is N-ethyl-3-phenyl-4-(1,2,4-triazol-1-yl)pyrazole-1-carboxamide.
What is the SMILES notation for N-ethyl-3-phenyl-4-(1,2,4-triazol-1-yl)pyrazole-1-carboxamide?
The canonical SMILES for N-ethyl-3-phenyl-4-(1,2,4-triazol-1-yl)pyrazole-1-carboxamide is CCNC(=O)n1cc(-n2cncn2)c(-c2ccccc2)n1.
What is the InChIKey of N-ethyl-3-phenyl-4-(1,2,4-triazol-1-yl)pyrazole-1-carboxamide?
The InChIKey is MONOJCRTUSPWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O/c1-2-16-14(21)19-8-12(20-10-15-9-17-20)13(18-19)11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H,16,21).
What are the key properties of N-ethyl-3-phenyl-4-(1,2,4-triazol-1-yl)pyrazole-1-carboxamide?
N-ethyl-3-phenyl-4-(1,2,4-triazol-1-yl)pyrazole-1-carboxamide has a molecular weight of 282.31 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-phenyl-4-(1,2,4-triazol-1-yl)pyrazole-1-carboxamide is sourced from PubChem (CID 1486536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).