[5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(3,5-dimethylpyrazol-1-yl)methanone

C16H15F2N5O — CID 4771331

IUPAC[5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(3,5-dimethylpyrazol-1-yl)methanone
SMILESCc1cc(C)n(C(=O)c2cnn3c(C(F)F)cc(C4CC4)nc23)n1
InChIInChI=1S/C16H15F2N5O/c1-8-5-9(2)22(21-8)16(24)11-7-19-23-13(14(17)18)6-12(10-3-4-10)20-15(11)23/h5-7,10,14H,3-4H2,1-2H3
InChIKeySKGQCMLWARFJHC-UHFFFAOYSA-N
MW331.33 g/mol
LogP3.05
Rot. Bonds3

About [5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(3,5-dimethylpyrazol-1-yl)methanone

[5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(3,5-dimethylpyrazol-1-yl)methanone (PubChem CID 4771331) has the molecular formula C16H15F2N5O and a molecular weight of 331.33 g/mol. Its IUPAC name is [5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(3,5-dimethylpyrazol-1-yl)methanone.

Molecular Properties

Compound Name[5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(3,5-dimethylpyrazol-1-yl)methanone
PubChem CID4771331
Molecular FormulaC16H15F2N5O
Molecular Weight331.33 g/mol
Exact Mass331.12
IUPAC Name[5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(3,5-dimethylpyrazol-1-yl)methanone
SMILESCc1cc(C)n(C(=O)c2cnn3c(C(F)F)cc(C4CC4)nc23)n1
InChIInChI=1S/C16H15F2N5O/c1-8-5-9(2)22(21-8)16(24)11-7-19-23-13(14(17)18)6-12(10-3-4-10)20-15(11)23/h5-7,10,14H,3-4H2,1-2H3
InChIKeySKGQCMLWARFJHC-UHFFFAOYSA-N
XLogP3.05
TPSA65.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(3,5-dimethylpyrazol-1-yl)methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(3,5-dimethylpyrazol-1-yl)methanone?
The IUPAC name of [5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(3,5-dimethylpyrazol-1-yl)methanone (CID 4771331) is [5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(3,5-dimethylpyrazol-1-yl)methanone.
What is the SMILES notation for [5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(3,5-dimethylpyrazol-1-yl)methanone?
The canonical SMILES for [5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(3,5-dimethylpyrazol-1-yl)methanone is Cc1cc(C)n(C(=O)c2cnn3c(C(F)F)cc(C4CC4)nc23)n1.
What is the InChIKey of [5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(3,5-dimethylpyrazol-1-yl)methanone?
The InChIKey is SKGQCMLWARFJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N5O/c1-8-5-9(2)22(21-8)16(24)11-7-19-23-13(14(17)18)6-12(10-3-4-10)20-15(11)23/h5-7,10,14H,3-4H2,1-2H3.
What are the key properties of [5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(3,5-dimethylpyrazol-1-yl)methanone?
[5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(3,5-dimethylpyrazol-1-yl)methanone has a molecular weight of 331.33 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(3,5-dimethylpyrazol-1-yl)methanone is sourced from PubChem (CID 4771331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).