5-cyclopropyl-7-(difluoromethyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidine

C13H15F2N3 — CID 129159907

IUPAC5-cyclopropyl-7-(difluoromethyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidine
SMILESCC(C)c1cnn2c(C(F)F)cc(C3CC3)nc12
InChIInChI=1S/C13H15F2N3/c1-7(2)9-6-16-18-11(12(14)15)5-10(8-3-4-8)17-13(9)18/h5-8,12H,3-4H2,1-2H3
InChIKeyHQMIPJDPVRBRDM-UHFFFAOYSA-N
MW251.28 g/mol
LogP3.67
Rot. Bonds3

About 5-cyclopropyl-7-(difluoromethyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidine

5-cyclopropyl-7-(difluoromethyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 129159907) has the molecular formula C13H15F2N3 and a molecular weight of 251.28 g/mol. Its IUPAC name is 5-cyclopropyl-7-(difluoromethyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-cyclopropyl-7-(difluoromethyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidine
PubChem CID129159907
Molecular FormulaC13H15F2N3
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name5-cyclopropyl-7-(difluoromethyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidine
SMILESCC(C)c1cnn2c(C(F)F)cc(C3CC3)nc12
InChIInChI=1S/C13H15F2N3/c1-7(2)9-6-16-18-11(12(14)15)5-10(8-3-4-8)17-13(9)18/h5-8,12H,3-4H2,1-2H3
InChIKeyHQMIPJDPVRBRDM-UHFFFAOYSA-N
XLogP3.67
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Pyrazolo(1,5-a)pyrimidine, 5,7-dimethyl-
CID 215186
9-Trifluoromethyl-5,6,7,8-tetrahydro-pyrazolo[5,1-b]quinazoline-3-carbonitrile
CID 671576
5,7-Bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 2736143
2-Methyl-9-(trifluoromethyl)-5H,6H,7H,8H-pyrazolo[3,2-B]quinazoline
CID 754722
2,5-dimethyl-7,8-dihydro-6H-cyclopenta[e]pyrazolo[1,5-a]pyrimidine
CID 1477871
3-(4-Fluorophenyl)-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 1474458
3-Ethyl-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 53318090
7-Cyclopropylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 1485518
7-Cyclopropyl-3-methylpyrazolo[1,5-a]pyrimidine
CID 1485522
5-Methyl-3-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 701718
3,5,7-Trimethylpyrazolo[1,5-a]pyrimidine
CID 18684975
5,7-Dimethyl 3-fluoro pyrazolo[1,5-a]pyrimidine
CID 20324958

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-7-(difluoromethyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-cyclopropyl-7-(difluoromethyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidine (CID 129159907) is 5-cyclopropyl-7-(difluoromethyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-cyclopropyl-7-(difluoromethyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-cyclopropyl-7-(difluoromethyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidine is CC(C)c1cnn2c(C(F)F)cc(C3CC3)nc12.
What is the InChIKey of 5-cyclopropyl-7-(difluoromethyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is HQMIPJDPVRBRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3/c1-7(2)9-6-16-18-11(12(14)15)5-10(8-3-4-8)17-13(9)18/h5-8,12H,3-4H2,1-2H3.
What are the key properties of 5-cyclopropyl-7-(difluoromethyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidine?
5-cyclopropyl-7-(difluoromethyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 251.28 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-7-(difluoromethyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 129159907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).