5-ethyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-1H-pyrazole-3-carboxamide

C15H16N6O — CID 78899603

IUPAC5-ethyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-1H-pyrazole-3-carboxamide
SMILESCCc1cc(C(=O)NCc2ccc(-n3cncn3)cc2)n[nH]1
InChIInChI=1S/C15H16N6O/c1-2-12-7-14(20-19-12)15(22)17-8-11-3-5-13(6-4-11)21-10-16-9-18-21/h3-7,9-10H,2,8H2,1H3,(H,17,22)(H,19,20)
InChIKeyQBMQRYFNZSQAEP-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.48
Rot. Bonds5

About 5-ethyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-1H-pyrazole-3-carboxamide

5-ethyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-1H-pyrazole-3-carboxamide (PubChem CID 78899603) has the molecular formula C15H16N6O and a molecular weight of 296.33 g/mol. Its IUPAC name is 5-ethyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-1H-pyrazole-3-carboxamide
PubChem CID78899603
Molecular FormulaC15H16N6O
Molecular Weight296.33 g/mol
Exact Mass296.14
IUPAC Name5-ethyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-1H-pyrazole-3-carboxamide
SMILESCCc1cc(C(=O)NCc2ccc(-n3cncn3)cc2)n[nH]1
InChIInChI=1S/C15H16N6O/c1-2-12-7-14(20-19-12)15(22)17-8-11-3-5-13(6-4-11)21-10-16-9-18-21/h3-7,9-10H,2,8H2,1H3,(H,17,22)(H,19,20)
InChIKeyQBMQRYFNZSQAEP-UHFFFAOYSA-N
XLogP1.48
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dichloro-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyridine-4-carboxamide
CID 167814570
1-(4-ethylphenyl)-N-[(4-ethylphenyl)methyl]triazole-4-carboxamide
CID 53332726
2-amino-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propanamide;hydrochloride
CID 119295878
N-[[4-(4-fluorophenoxy)phenyl]methyl]-4-(1,2,4-triazol-1-yl)benzamide
CID 24535888
2-ethyl-3-methyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]quinoline-4-carboxamide
CID 71893303
3-fluoro-4-methoxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide
CID 86992268
N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 70751626
5-ethyl-N-[(5-ethylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide
CID 78876589
N-[[4-(ethylcarbamoyl)phenyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 87045448
N-[[2-(dimethylamino)-4-pyridinyl]methyl]-5-ethyl-1H-pyrazole-3-carboxamide
CID 78863513
2-amino-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pentanamide;hydrochloride
CID 119295882
3-amino-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propanamide;hydrochloride
CID 119295872

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-ethyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-1H-pyrazole-3-carboxamide (CID 78899603) is 5-ethyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-ethyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-ethyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-1H-pyrazole-3-carboxamide is CCc1cc(C(=O)NCc2ccc(-n3cncn3)cc2)n[nH]1.
What is the InChIKey of 5-ethyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is QBMQRYFNZSQAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O/c1-2-12-7-14(20-19-12)15(22)17-8-11-3-5-13(6-4-11)21-10-16-9-18-21/h3-7,9-10H,2,8H2,1H3,(H,17,22)(H,19,20).
What are the key properties of 5-ethyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-1H-pyrazole-3-carboxamide?
5-ethyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 78899603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).