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

C16H16N6O — CID 138013343

IUPACN-[3-(1H-pyrazol-5-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide
SMILESO=C(Nc1cccc(-c2ccn[nH]2)c1)C1CCn2ncnc2C1
InChIInChI=1S/C16H16N6O/c23-16(12-5-7-22-15(9-12)17-10-19-22)20-13-3-1-2-11(8-13)14-4-6-18-21-14/h1-4,6,8,10,12H,5,7,9H2,(H,18,21)(H,20,23)
InChIKeySHESIWOZEVNMCY-UHFFFAOYSA-N
MW308.34 g/mol
LogP1.87
Rot. Bonds3

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

N-[3-(1H-pyrazol-5-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide (PubChem CID 138013343) has the molecular formula C16H16N6O and a molecular weight of 308.34 g/mol. Its IUPAC name is N-[3-(1H-pyrazol-5-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-[3-(1H-pyrazol-5-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide
PubChem CID138013343
Molecular FormulaC16H16N6O
Molecular Weight308.34 g/mol
Exact Mass308.14
IUPAC NameN-[3-(1H-pyrazol-5-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide
SMILESO=C(Nc1cccc(-c2ccn[nH]2)c1)C1CCn2ncnc2C1
InChIInChI=1S/C16H16N6O/c23-16(12-5-7-22-15(9-12)17-10-19-22)20-13-3-1-2-11(8-13)14-4-6-18-21-14/h1-4,6,8,10,12H,5,7,9H2,(H,18,21)(H,20,23)
InChIKeySHESIWOZEVNMCY-UHFFFAOYSA-N
XLogP1.87
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(1H-pyrazol-5-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119707800
1-(dimethylsulfamoyl)-N-[3-(1H-pyrazol-5-yl)phenyl]piperidine-4-carboxamide
CID 72888802
1-[[3-(1H-pyrazol-5-yl)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122090082
2-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide
CID 154869493
1-[(1-methylbenzimidazol-2-yl)methyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperidine-4-carboxamide
CID 29211136
N-[3-(1H-pyrazol-5-yl)phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 46412516
N-[3-(1H-pyrazol-5-yl)phenyl]azepane-1-carboxamide
CID 79157648
1-(2,1,3-benzoxadiazol-5-ylmethyl)-N-[3-(1H-pyrazol-5-yl)phenyl]piperidine-4-carboxamide
CID 126460633
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[3-(1H-pyrazol-5-yl)phenyl]piperidine-4-carboxamide
CID 42519475
3-amino-N-[3-(1H-pyrazol-5-yl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119707776
N-[3-(1H-pyrazol-5-yl)phenyl]azepane-2-carboxamide
CID 64563413
1-[[5-[(2S)-oxan-2-yl]furan-2-yl]methyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperidine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-pyrazol-5-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide?
The IUPAC name of N-[3-(1H-pyrazol-5-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide (CID 138013343) is N-[3-(1H-pyrazol-5-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide.
What is the SMILES notation for N-[3-(1H-pyrazol-5-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide?
The canonical SMILES for N-[3-(1H-pyrazol-5-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide is O=C(Nc1cccc(-c2ccn[nH]2)c1)C1CCn2ncnc2C1.
What is the InChIKey of N-[3-(1H-pyrazol-5-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide?
The InChIKey is SHESIWOZEVNMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O/c23-16(12-5-7-22-15(9-12)17-10-19-22)20-13-3-1-2-11(8-13)14-4-6-18-21-14/h1-4,6,8,10,12H,5,7,9H2,(H,18,21)(H,20,23).
What are the key properties of N-[3-(1H-pyrazol-5-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide?
N-[3-(1H-pyrazol-5-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-pyrazol-5-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide is sourced from PubChem (CID 138013343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).