1-phenyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazole-4-carboxamide

C18H16N6O — CID 42025013

IUPAC1-phenyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazole-4-carboxamide
SMILESO=C(NCCc1nnc2ccccn12)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C18H16N6O/c25-18(14-12-20-24(13-14)15-6-2-1-3-7-15)19-10-9-17-22-21-16-8-4-5-11-23(16)17/h1-8,11-13H,9-10H2,(H,19,25)
InChIKeyBUCBDCVIYGZPCY-UHFFFAOYSA-N
MW332.37 g/mol
LogP1.89
Rot. Bonds5

About 1-phenyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazole-4-carboxamide

1-phenyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazole-4-carboxamide (PubChem CID 42025013) has the molecular formula C18H16N6O and a molecular weight of 332.37 g/mol. Its IUPAC name is 1-phenyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-phenyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazole-4-carboxamide
PubChem CID42025013
Molecular FormulaC18H16N6O
Molecular Weight332.37 g/mol
Exact Mass332.14
IUPAC Name1-phenyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazole-4-carboxamide
SMILESO=C(NCCc1nnc2ccccn12)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C18H16N6O/c25-18(14-12-20-24(13-14)15-6-2-1-3-7-15)19-10-9-17-22-21-16-8-4-5-11-23(16)17/h1-8,11-13H,9-10H2,(H,19,25)
InChIKeyBUCBDCVIYGZPCY-UHFFFAOYSA-N
XLogP1.89
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
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2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylcarbamoyl]benzoic acid
CID 91947510
N-(3-amino-3-sulfanylidenepropyl)-1-phenylpyrazole-4-carboxamide
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2-benzoyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 17444903
6-chloro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-3-carboxamide
CID 23474315
1-phenyl-3-pyridin-3-yl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazole-4-carboxamide
CID 134014151
N-[2-(1-benzylimidazol-2-yl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 134027595
5-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-2,5-dicarboxamide
CID 86858578
3-phenoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 17448491
N-[2-(2-chlorophenyl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 50772841
2-amino-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazole-4-carboxamide?
The IUPAC name of 1-phenyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazole-4-carboxamide (CID 42025013) is 1-phenyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-phenyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-phenyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazole-4-carboxamide is O=C(NCCc1nnc2ccccn12)c1cnn(-c2ccccc2)c1.
What is the InChIKey of 1-phenyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazole-4-carboxamide?
The InChIKey is BUCBDCVIYGZPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O/c25-18(14-12-20-24(13-14)15-6-2-1-3-7-15)19-10-9-17-22-21-16-8-4-5-11-23(16)17/h1-8,11-13H,9-10H2,(H,19,25).
What are the key properties of 1-phenyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazole-4-carboxamide?
1-phenyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazole-4-carboxamide has a molecular weight of 332.37 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 42025013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).