2-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)triazole-4-carboxamide

C17H18N6O — CID 91629610

IUPAC2-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)triazole-4-carboxamide
SMILESO=C(NCc1cnn2c1CCCC2)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C17H18N6O/c24-17(15-12-20-23(21-15)14-6-2-1-3-7-14)18-10-13-11-19-22-9-5-4-8-16(13)22/h1-3,6-7,11-12H,4-5,8-10H2,(H,18,24)
InChIKeyLXPVBSJLTFIPQA-UHFFFAOYSA-N
MW322.37 g/mol
LogP1.73
Rot. Bonds4

About 2-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)triazole-4-carboxamide

2-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)triazole-4-carboxamide (PubChem CID 91629610) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is 2-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name2-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)triazole-4-carboxamide
PubChem CID91629610
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC Name2-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)triazole-4-carboxamide
SMILESO=C(NCc1cnn2c1CCCC2)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C17H18N6O/c24-17(15-12-20-23(21-15)14-6-2-1-3-7-14)18-10-13-11-19-22-9-5-4-8-16(13)22/h1-3,6-7,11-12H,4-5,8-10H2,(H,18,24)
InChIKeyLXPVBSJLTFIPQA-UHFFFAOYSA-N
XLogP1.73
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)triazole-4-carboxamide?
The IUPAC name of 2-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)triazole-4-carboxamide (CID 91629610) is 2-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)triazole-4-carboxamide.
What is the SMILES notation for 2-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)triazole-4-carboxamide?
The canonical SMILES for 2-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)triazole-4-carboxamide is O=C(NCc1cnn2c1CCCC2)c1cnn(-c2ccccc2)n1.
What is the InChIKey of 2-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)triazole-4-carboxamide?
The InChIKey is LXPVBSJLTFIPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O/c24-17(15-12-20-23(21-15)14-6-2-1-3-7-14)18-10-13-11-19-22-9-5-4-8-16(13)22/h1-3,6-7,11-12H,4-5,8-10H2,(H,18,24).
What are the key properties of 2-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)triazole-4-carboxamide?
2-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)triazole-4-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)triazole-4-carboxamide is sourced from PubChem (CID 91629610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).