5-[1-(3-chlorophenyl)pyrazol-4-yl]-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C17H15ClN6O — CID 134439438

IUPAC5-[1-(3-chlorophenyl)pyrazol-4-yl]-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCC(C)c1c(-c2cnn(-c3cccc(Cl)c3)c2)nc2nc[nH]n2c1=O
InChIInChI=1S/C17H15ClN6O/c1-10(2)14-15(22-17-19-9-21-24(17)16(14)25)11-7-20-23(8-11)13-5-3-4-12(18)6-13/h3-10H,1-2H3,(H,19,21,22)
InChIKeyHSNJAABZLMWACZ-UHFFFAOYSA-N
MW354.80 g/mol
LogP3.05
Rot. Bonds3

About 5-[1-(3-chlorophenyl)pyrazol-4-yl]-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

5-[1-(3-chlorophenyl)pyrazol-4-yl]-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 134439438) has the molecular formula C17H15ClN6O and a molecular weight of 354.80 g/mol. Its IUPAC name is 5-[1-(3-chlorophenyl)pyrazol-4-yl]-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[1-(3-chlorophenyl)pyrazol-4-yl]-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID134439438
Molecular FormulaC17H15ClN6O
Molecular Weight354.80 g/mol
Exact Mass354.10
IUPAC Name5-[1-(3-chlorophenyl)pyrazol-4-yl]-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCC(C)c1c(-c2cnn(-c3cccc(Cl)c3)c2)nc2nc[nH]n2c1=O
InChIInChI=1S/C17H15ClN6O/c1-10(2)14-15(22-17-19-9-21-24(17)16(14)25)11-7-20-23(8-11)13-5-3-4-12(18)6-13/h3-10H,1-2H3,(H,19,21,22)
InChIKeyHSNJAABZLMWACZ-UHFFFAOYSA-N
XLogP3.05
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.80
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-chlorophenyl)pyrazol-4-yl]-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[1-(3-chlorophenyl)pyrazol-4-yl]-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 134439438) is 5-[1-(3-chlorophenyl)pyrazol-4-yl]-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[1-(3-chlorophenyl)pyrazol-4-yl]-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[1-(3-chlorophenyl)pyrazol-4-yl]-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CC(C)c1c(-c2cnn(-c3cccc(Cl)c3)c2)nc2nc[nH]n2c1=O.
What is the InChIKey of 5-[1-(3-chlorophenyl)pyrazol-4-yl]-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is HSNJAABZLMWACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN6O/c1-10(2)14-15(22-17-19-9-21-24(17)16(14)25)11-7-20-23(8-11)13-5-3-4-12(18)6-13/h3-10H,1-2H3,(H,19,21,22).
What are the key properties of 5-[1-(3-chlorophenyl)pyrazol-4-yl]-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-[1-(3-chlorophenyl)pyrazol-4-yl]-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 354.80 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-chlorophenyl)pyrazol-4-yl]-6-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 134439438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).