3-chloro-5-methyl-N-(3-pyrazol-1-ylpropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C15H14ClF3N6O — CID 19332320

IUPAC3-chloro-5-methyl-N-(3-pyrazol-1-ylpropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C(F)(F)F)n2nc(C(=O)NCCCn3cccn3)c(Cl)c2n1
InChIInChI=1S/C15H14ClF3N6O/c1-9-8-10(15(17,18)19)25-13(22-9)11(16)12(23-25)14(26)20-4-2-6-24-7-3-5-21-24/h3,5,7-8H,2,4,6H2,1H3,(H,20,26)
InChIKeyCJSNMWRRONDRHZ-UHFFFAOYSA-N
MW386.77 g/mol
LogP2.73
Rot. Bonds5

About 3-chloro-5-methyl-N-(3-pyrazol-1-ylpropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

3-chloro-5-methyl-N-(3-pyrazol-1-ylpropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19332320) has the molecular formula C15H14ClF3N6O and a molecular weight of 386.77 g/mol. Its IUPAC name is 3-chloro-5-methyl-N-(3-pyrazol-1-ylpropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-5-methyl-N-(3-pyrazol-1-ylpropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19332320
Molecular FormulaC15H14ClF3N6O
Molecular Weight386.77 g/mol
Exact Mass386.09
IUPAC Name3-chloro-5-methyl-N-(3-pyrazol-1-ylpropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C(F)(F)F)n2nc(C(=O)NCCCn3cccn3)c(Cl)c2n1
InChIInChI=1S/C15H14ClF3N6O/c1-9-8-10(15(17,18)19)25-13(22-9)11(16)12(23-25)14(26)20-4-2-6-24-7-3-5-21-24/h3,5,7-8H,2,4,6H2,1H3,(H,20,26)
InChIKeyCJSNMWRRONDRHZ-UHFFFAOYSA-N
XLogP2.73
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.77
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methyl-N-(3-pyrazol-1-ylpropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 3-chloro-5-methyl-N-(3-pyrazol-1-ylpropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19332320) is 3-chloro-5-methyl-N-(3-pyrazol-1-ylpropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 3-chloro-5-methyl-N-(3-pyrazol-1-ylpropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 3-chloro-5-methyl-N-(3-pyrazol-1-ylpropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(C(F)(F)F)n2nc(C(=O)NCCCn3cccn3)c(Cl)c2n1.
What is the InChIKey of 3-chloro-5-methyl-N-(3-pyrazol-1-ylpropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is CJSNMWRRONDRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF3N6O/c1-9-8-10(15(17,18)19)25-13(22-9)11(16)12(23-25)14(26)20-4-2-6-24-7-3-5-21-24/h3,5,7-8H,2,4,6H2,1H3,(H,20,26).
What are the key properties of 3-chloro-5-methyl-N-(3-pyrazol-1-ylpropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
3-chloro-5-methyl-N-(3-pyrazol-1-ylpropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 386.77 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methyl-N-(3-pyrazol-1-ylpropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19332320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).