5-cyclopropyl-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]-1H-pyrazole-3-carboxamide

C19H20N6O — CID 91889053

IUPAC5-cyclopropyl-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1ccc(-c2nnc3n2CCCC3)cc1)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C19H20N6O/c26-19(16-11-15(21-22-16)12-4-5-12)20-14-8-6-13(7-9-14)18-24-23-17-3-1-2-10-25(17)18/h6-9,11-12H,1-5,10H2,(H,20,26)(H,21,22)
InChIKeyJVUHSHOEOSMHRZ-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.13
Rot. Bonds4

About 5-cyclopropyl-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]-1H-pyrazole-3-carboxamide

5-cyclopropyl-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]-1H-pyrazole-3-carboxamide (PubChem CID 91889053) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is 5-cyclopropyl-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]-1H-pyrazole-3-carboxamide
PubChem CID91889053
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name5-cyclopropyl-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1ccc(-c2nnc3n2CCCC3)cc1)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C19H20N6O/c26-19(16-11-15(21-22-16)12-4-5-12)20-14-8-6-13(7-9-14)18-24-23-17-3-1-2-10-25(17)18/h6-9,11-12H,1-5,10H2,(H,20,26)(H,21,22)
InChIKeyJVUHSHOEOSMHRZ-UHFFFAOYSA-N
XLogP3.13
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]-1H-pyrazole-3-carboxamide (CID 91889053) is 5-cyclopropyl-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]-1H-pyrazole-3-carboxamide is O=C(Nc1ccc(-c2nnc3n2CCCC3)cc1)c1cc(C2CC2)[nH]n1.
What is the InChIKey of 5-cyclopropyl-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]-1H-pyrazole-3-carboxamide?
The InChIKey is JVUHSHOEOSMHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c26-19(16-11-15(21-22-16)12-4-5-12)20-14-8-6-13(7-9-14)18-24-23-17-3-1-2-10-25(17)18/h6-9,11-12H,1-5,10H2,(H,20,26)(H,21,22).
What are the key properties of 5-cyclopropyl-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]-1H-pyrazole-3-carboxamide?
5-cyclopropyl-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]-1H-pyrazole-3-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 91889053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).