2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-8-one

C12H14ClN5O — CID 162378390

IUPAC2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-8-one
SMILESCC(C)n1ncc(Cl)c1-c1nc2n(n1)CCCC2=O
InChIInChI=1S/C12H14ClN5O/c1-7(2)18-10(8(13)6-14-18)11-15-12-9(19)4-3-5-17(12)16-11/h6-7H,3-5H2,1-2H3
InChIKeyHVSMIQGSCQVLNR-UHFFFAOYSA-N
MW279.73 g/mol
LogP2.35
Rot. Bonds2

About 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-8-one

2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-8-one (PubChem CID 162378390) has the molecular formula C12H14ClN5O and a molecular weight of 279.73 g/mol. Its IUPAC name is 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-8-one.

Molecular Properties

Compound Name2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-8-one
PubChem CID162378390
Molecular FormulaC12H14ClN5O
Molecular Weight279.73 g/mol
Exact Mass279.09
IUPAC Name2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-8-one
SMILESCC(C)n1ncc(Cl)c1-c1nc2n(n1)CCCC2=O
InChIInChI=1S/C12H14ClN5O/c1-7(2)18-10(8(13)6-14-18)11-15-12-9(19)4-3-5-17(12)16-11/h6-7H,3-5H2,1-2H3
InChIKeyHVSMIQGSCQVLNR-UHFFFAOYSA-N
XLogP2.35
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[(1R)-1-[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 168841744
2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[4-[3-(2,2-difluoroethoxy)-2-pyridinyl]phenyl]methyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 162378830
2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[1-[4-[5-(2,2-difluoroethoxy)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethyl]-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 162378221
4-[[3-chloro-4-(3-propan-2-yloxy-2-pyridinyl)phenyl]methyl]-2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 162378102
3-(4-chloro-1-propan-2-ylpyrazol-5-yl)cyclohex-2-en-1-amine
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3-(4-chloro-1-propan-2-ylpyrazol-5-yl)cyclohept-2-en-1-amine
CID 107383350
2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[4-(1-ethyl-4-methylimidazol-2-yl)phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
CID 162378735
4-[[3-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 168841751
3-chloro-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
CID 122129707
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(1-pyrrolidin-1-ylcyclopentyl)methanone
CID 114641237
2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-[[5-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]pyrimidin-2-yl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
CID 162378231
3-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylcyclopentan-1-one
CID 114663690

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-8-one?
The IUPAC name of 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-8-one (CID 162378390) is 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-8-one.
What is the SMILES notation for 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-8-one?
The canonical SMILES for 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-8-one is CC(C)n1ncc(Cl)c1-c1nc2n(n1)CCCC2=O.
What is the InChIKey of 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-8-one?
The InChIKey is HVSMIQGSCQVLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5O/c1-7(2)18-10(8(13)6-14-18)11-15-12-9(19)4-3-5-17(12)16-11/h6-7H,3-5H2,1-2H3.
What are the key properties of 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-8-one?
2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-8-one has a molecular weight of 279.73 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-8-one is sourced from PubChem (CID 162378390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).