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

C14H15ClF2N4O2 — CID 19457924

IUPAC7-[chloro(difluoro)methyl]-5-methyl-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C(F)(F)Cl)n2nc(C(=O)NCC3CCCO3)cc2n1
InChIInChI=1S/C14H15ClF2N4O2/c1-8-5-11(14(15,16)17)21-12(19-8)6-10(20-21)13(22)18-7-9-3-2-4-23-9/h5-6,9H,2-4,7H2,1H3,(H,18,22)
InChIKeyJPTGAMDFIRXYIU-UHFFFAOYSA-N
MW344.75 g/mol
LogP2.23
Rot. Bonds4

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

7-[chloro(difluoro)methyl]-5-methyl-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19457924) has the molecular formula C14H15ClF2N4O2 and a molecular weight of 344.75 g/mol. Its IUPAC name is 7-[chloro(difluoro)methyl]-5-methyl-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name7-[chloro(difluoro)methyl]-5-methyl-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19457924
Molecular FormulaC14H15ClF2N4O2
Molecular Weight344.75 g/mol
Exact Mass344.09
IUPAC Name7-[chloro(difluoro)methyl]-5-methyl-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C(F)(F)Cl)n2nc(C(=O)NCC3CCCO3)cc2n1
InChIInChI=1S/C14H15ClF2N4O2/c1-8-5-11(14(15,16)17)21-12(19-8)6-10(20-21)13(22)18-7-9-3-2-4-23-9/h5-6,9H,2-4,7H2,1H3,(H,18,22)
InChIKeyJPTGAMDFIRXYIU-UHFFFAOYSA-N
XLogP2.23
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.75
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[chloro(difluoro)methyl]-5-methyl-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 7-[chloro(difluoro)methyl]-5-methyl-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19457924) is 7-[chloro(difluoro)methyl]-5-methyl-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 7-[chloro(difluoro)methyl]-5-methyl-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 7-[chloro(difluoro)methyl]-5-methyl-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(C(F)(F)Cl)n2nc(C(=O)NCC3CCCO3)cc2n1.
What is the InChIKey of 7-[chloro(difluoro)methyl]-5-methyl-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is JPTGAMDFIRXYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClF2N4O2/c1-8-5-11(14(15,16)17)21-12(19-8)6-10(20-21)13(22)18-7-9-3-2-4-23-9/h5-6,9H,2-4,7H2,1H3,(H,18,22).
What are the key properties of 7-[chloro(difluoro)methyl]-5-methyl-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
7-[chloro(difluoro)methyl]-5-methyl-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 344.75 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[chloro(difluoro)methyl]-5-methyl-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19457924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).