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

C14H14ClF3N4O2 — CID 19451469

IUPAC3-chloro-5-methyl-N-(oxolan-2-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C(F)(F)F)n2nc(C(=O)NCC3CCCO3)c(Cl)c2n1
InChIInChI=1S/C14H14ClF3N4O2/c1-7-5-9(14(16,17)18)22-12(20-7)10(15)11(21-22)13(23)19-6-8-3-2-4-24-8/h5,8H,2-4,6H2,1H3,(H,19,23)
InChIKeyHIGCXXLJZWKDRL-UHFFFAOYSA-N
MW362.74 g/mol
LogP2.62
Rot. Bonds3

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

3-chloro-5-methyl-N-(oxolan-2-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19451469) has the molecular formula C14H14ClF3N4O2 and a molecular weight of 362.74 g/mol. Its IUPAC name is 3-chloro-5-methyl-N-(oxolan-2-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-5-methyl-N-(oxolan-2-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19451469
Molecular FormulaC14H14ClF3N4O2
Molecular Weight362.74 g/mol
Exact Mass362.08
IUPAC Name3-chloro-5-methyl-N-(oxolan-2-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C(F)(F)F)n2nc(C(=O)NCC3CCCO3)c(Cl)c2n1
InChIInChI=1S/C14H14ClF3N4O2/c1-7-5-9(14(16,17)18)22-12(20-7)10(15)11(21-22)13(23)19-6-8-3-2-4-24-8/h5,8H,2-4,6H2,1H3,(H,19,23)
InChIKeyHIGCXXLJZWKDRL-UHFFFAOYSA-N
XLogP2.62
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.74
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methyl-N-(oxolan-2-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 3-chloro-5-methyl-N-(oxolan-2-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19451469) is 3-chloro-5-methyl-N-(oxolan-2-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 3-chloro-5-methyl-N-(oxolan-2-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 3-chloro-5-methyl-N-(oxolan-2-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(C(F)(F)F)n2nc(C(=O)NCC3CCCO3)c(Cl)c2n1.
What is the InChIKey of 3-chloro-5-methyl-N-(oxolan-2-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is HIGCXXLJZWKDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClF3N4O2/c1-7-5-9(14(16,17)18)22-12(20-7)10(15)11(21-22)13(23)19-6-8-3-2-4-24-8/h5,8H,2-4,6H2,1H3,(H,19,23).
What are the key properties of 3-chloro-5-methyl-N-(oxolan-2-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
3-chloro-5-methyl-N-(oxolan-2-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 362.74 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methyl-N-(oxolan-2-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19451469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).