3-chloro-5-(1,3-dimethylpyrazol-4-yl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

C13H11ClF3N5 — CID 4774619

IUPAC3-chloro-5-(1,3-dimethylpyrazol-4-yl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1nn(C)cc1-c1cc(C(F)(F)F)n2nc(C)c(Cl)c2n1
InChIInChI=1S/C13H11ClF3N5/c1-6-8(5-21(3)19-6)9-4-10(13(15,16)17)22-12(18-9)11(14)7(2)20-22/h4-5H,1-3H3
InChIKeyZAGZTWUMXOPAIP-UHFFFAOYSA-N
MW329.71 g/mol
LogP3.42
Rot. Bonds1

About 3-chloro-5-(1,3-dimethylpyrazol-4-yl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

3-chloro-5-(1,3-dimethylpyrazol-4-yl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 4774619) has the molecular formula C13H11ClF3N5 and a molecular weight of 329.71 g/mol. Its IUPAC name is 3-chloro-5-(1,3-dimethylpyrazol-4-yl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-chloro-5-(1,3-dimethylpyrazol-4-yl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID4774619
Molecular FormulaC13H11ClF3N5
Molecular Weight329.71 g/mol
Exact Mass329.07
IUPAC Name3-chloro-5-(1,3-dimethylpyrazol-4-yl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1nn(C)cc1-c1cc(C(F)(F)F)n2nc(C)c(Cl)c2n1
InChIInChI=1S/C13H11ClF3N5/c1-6-8(5-21(3)19-6)9-4-10(13(15,16)17)22-12(18-9)11(14)7(2)20-22/h4-5H,1-3H3
InChIKeyZAGZTWUMXOPAIP-UHFFFAOYSA-N
XLogP3.42
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.71
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(1,3-dimethylpyrazol-4-yl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-chloro-5-(1,3-dimethylpyrazol-4-yl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 4774619) is 3-chloro-5-(1,3-dimethylpyrazol-4-yl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-chloro-5-(1,3-dimethylpyrazol-4-yl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-chloro-5-(1,3-dimethylpyrazol-4-yl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is Cc1nn(C)cc1-c1cc(C(F)(F)F)n2nc(C)c(Cl)c2n1.
What is the InChIKey of 3-chloro-5-(1,3-dimethylpyrazol-4-yl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is ZAGZTWUMXOPAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF3N5/c1-6-8(5-21(3)19-6)9-4-10(13(15,16)17)22-12(18-9)11(14)7(2)20-22/h4-5H,1-3H3.
What are the key properties of 3-chloro-5-(1,3-dimethylpyrazol-4-yl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
3-chloro-5-(1,3-dimethylpyrazol-4-yl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 329.71 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(1,3-dimethylpyrazol-4-yl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 4774619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).