3-cyano-N-(3,3-difluorocyclobutyl)-5-ethyl-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide

C15H15F2N5O — CID 172615141

IUPAC3-cyano-N-(3,3-difluorocyclobutyl)-5-ethyl-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCCc1cc(C(=O)NC2CC(F)(F)C2)n2nc(C)c(C#N)c2n1
InChIInChI=1S/C15H15F2N5O/c1-3-9-4-12(14(23)20-10-5-15(16,17)6-10)22-13(19-9)11(7-18)8(2)21-22/h4,10H,3,5-6H2,1-2H3,(H,20,23)
InChIKeyVINDURNSIIKVQG-UHFFFAOYSA-N
MW319.32 g/mol
LogP2.00
Rot. Bonds3

About 3-cyano-N-(3,3-difluorocyclobutyl)-5-ethyl-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide

3-cyano-N-(3,3-difluorocyclobutyl)-5-ethyl-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 172615141) has the molecular formula C15H15F2N5O and a molecular weight of 319.32 g/mol. Its IUPAC name is 3-cyano-N-(3,3-difluorocyclobutyl)-5-ethyl-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name3-cyano-N-(3,3-difluorocyclobutyl)-5-ethyl-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide
PubChem CID172615141
Molecular FormulaC15H15F2N5O
Molecular Weight319.32 g/mol
Exact Mass319.12
IUPAC Name3-cyano-N-(3,3-difluorocyclobutyl)-5-ethyl-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCCc1cc(C(=O)NC2CC(F)(F)C2)n2nc(C)c(C#N)c2n1
InChIInChI=1S/C15H15F2N5O/c1-3-9-4-12(14(23)20-10-5-15(16,17)6-10)22-13(19-9)11(7-18)8(2)21-22/h4,10H,3,5-6H2,1-2H3,(H,20,23)
InChIKeyVINDURNSIIKVQG-UHFFFAOYSA-N
XLogP2.00
TPSA83.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-cyano-N-(3,3-difluorocyclobutyl)-5-ethyl-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-allyl-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2243233
5-cyclopropyl-N-isobutyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 842867
N-cyclohexyl-9-(trifluoromethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-2-carboxamide
CID 1259390
N-cyclohexyl-7-isopropylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 53040850
N~5~-cyclopentyl-7-isopropylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 53179902
7-[5-Cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135674323
2-Methyl-7-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135674335
6-[5-Cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136761500
(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 164641297
N-cyclohexyl-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3325795
5-cyclopropyl-N-isopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3565182
N-cyclopentyl-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 4768513

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(3,3-difluorocyclobutyl)-5-ethyl-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide?
The IUPAC name of 3-cyano-N-(3,3-difluorocyclobutyl)-5-ethyl-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide (CID 172615141) is 3-cyano-N-(3,3-difluorocyclobutyl)-5-ethyl-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide.
What is the SMILES notation for 3-cyano-N-(3,3-difluorocyclobutyl)-5-ethyl-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide?
The canonical SMILES for 3-cyano-N-(3,3-difluorocyclobutyl)-5-ethyl-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide is CCc1cc(C(=O)NC2CC(F)(F)C2)n2nc(C)c(C#N)c2n1.
What is the InChIKey of 3-cyano-N-(3,3-difluorocyclobutyl)-5-ethyl-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide?
The InChIKey is VINDURNSIIKVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N5O/c1-3-9-4-12(14(23)20-10-5-15(16,17)6-10)22-13(19-9)11(7-18)8(2)21-22/h4,10H,3,5-6H2,1-2H3,(H,20,23).
What are the key properties of 3-cyano-N-(3,3-difluorocyclobutyl)-5-ethyl-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide?
3-cyano-N-(3,3-difluorocyclobutyl)-5-ethyl-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 319.32 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(3,3-difluorocyclobutyl)-5-ethyl-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 172615141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).