3-(2,2-difluoroethyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine

C11H13F2N3 — CID 178000896

IUPAC3-(2,2-difluoroethyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine
SMILESCC(C)c1ccn2ncc(CC(F)F)c2n1
InChIInChI=1S/C11H13F2N3/c1-7(2)9-3-4-16-11(15-9)8(6-14-16)5-10(12)13/h3-4,6-7,10H,5H2,1-2H3
InChIKeyQVJCDCIBIQIVDU-UHFFFAOYSA-N
MW225.24 g/mol
LogP2.66
Rot. Bonds3

About 3-(2,2-difluoroethyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine

3-(2,2-difluoroethyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 178000896) has the molecular formula C11H13F2N3 and a molecular weight of 225.24 g/mol. Its IUPAC name is 3-(2,2-difluoroethyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(2,2-difluoroethyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine
PubChem CID178000896
Molecular FormulaC11H13F2N3
Molecular Weight225.24 g/mol
Exact Mass225.11
IUPAC Name3-(2,2-difluoroethyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine
SMILESCC(C)c1ccn2ncc(CC(F)F)c2n1
InChIInChI=1S/C11H13F2N3/c1-7(2)9-3-4-16-11(15-9)8(6-14-16)5-10(12)13/h3-4,6-7,10H,5H2,1-2H3
InChIKeyQVJCDCIBIQIVDU-UHFFFAOYSA-N
XLogP2.66
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Pyrazolo(1,5-a)pyrimidine, 5,7-dimethyl-
CID 215186
Istisociclib
CID 146502834
2-[5-[[4-(Ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1-methylpyrazol-3-yl]-2-methylpropanenitrile
CID 72191820
5,7-Bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 2736143
2,3-dimethyl-5-(2-(1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl)ethyl)pyrazolo[1,5-a]pyrimidine
CID 75201365
4-N-butyl-6-methyl-5-(3-pyrazol-1-ylpropyl)pyrimidine-2,4-diamine
CID 135260428
7-(4-Fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine
CID 4564331
5-Methylpyrazolo[1,5-a]pyrimidine
CID 12581392
3-Ethyl-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 53318090
N-ethyl-N-methyl-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-amine
CID 53320653
N-ethyl-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-amine
CID 53324165
8-(azetidin-1-yl)-12-(111C)methyl-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene
CID 168280506

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(2,2-difluoroethyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine (CID 178000896) is 3-(2,2-difluoroethyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(2,2-difluoroethyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(2,2-difluoroethyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine is CC(C)c1ccn2ncc(CC(F)F)c2n1.
What is the InChIKey of 3-(2,2-difluoroethyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is QVJCDCIBIQIVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N3/c1-7(2)9-3-4-16-11(15-9)8(6-14-16)5-10(12)13/h3-4,6-7,10H,5H2,1-2H3.
What are the key properties of 3-(2,2-difluoroethyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine?
3-(2,2-difluoroethyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 225.24 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 178000896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).