7-chloro-5-cyclopropyl-2-(4,4-difluoro-1-methylpiperidin-2-yl)pyrazolo[1,5-a]pyrimidine

C15H17ClF2N4 — CID 154969585

IUPAC7-chloro-5-cyclopropyl-2-(4,4-difluoro-1-methylpiperidin-2-yl)pyrazolo[1,5-a]pyrimidine
SMILESCN1CCC(F)(F)CC1c1cc2nc(C3CC3)cc(Cl)n2n1
InChIInChI=1S/C15H17ClF2N4/c1-21-5-4-15(17,18)8-12(21)11-7-14-19-10(9-2-3-9)6-13(16)22(14)20-11/h6-7,9,12H,2-5,8H2,1H3
InChIKeyFVSJYXPXKADYRX-UHFFFAOYSA-N
MW326.78 g/mol
LogP3.66
Rot. Bonds2

About 7-chloro-5-cyclopropyl-2-(4,4-difluoro-1-methylpiperidin-2-yl)pyrazolo[1,5-a]pyrimidine

7-chloro-5-cyclopropyl-2-(4,4-difluoro-1-methylpiperidin-2-yl)pyrazolo[1,5-a]pyrimidine (PubChem CID 154969585) has the molecular formula C15H17ClF2N4 and a molecular weight of 326.78 g/mol. Its IUPAC name is 7-chloro-5-cyclopropyl-2-(4,4-difluoro-1-methylpiperidin-2-yl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-5-cyclopropyl-2-(4,4-difluoro-1-methylpiperidin-2-yl)pyrazolo[1,5-a]pyrimidine
PubChem CID154969585
Molecular FormulaC15H17ClF2N4
Molecular Weight326.78 g/mol
Exact Mass326.11
IUPAC Name7-chloro-5-cyclopropyl-2-(4,4-difluoro-1-methylpiperidin-2-yl)pyrazolo[1,5-a]pyrimidine
SMILESCN1CCC(F)(F)CC1c1cc2nc(C3CC3)cc(Cl)n2n1
InChIInChI=1S/C15H17ClF2N4/c1-21-5-4-15(17,18)8-12(21)11-7-14-19-10(9-2-3-9)6-13(16)22(14)20-11/h6-7,9,12H,2-5,8H2,1H3
InChIKeyFVSJYXPXKADYRX-UHFFFAOYSA-N
XLogP3.66
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-3-chloro-N,N-dimethyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 2821864
7-(4,4-Difluoropiperidin-1-yl)-5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidine
CID 70731236
3-Chloro-2-cyclopropyl-7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 2821831
3-(2-Chlorophenyl)-7-(4-ethylpiperazin-1-yl)-5-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 20895270
1-[3-(4-Chlorophenyl)-5-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-methylpiperazine
CID 24219780
3-(4-Chlorophenyl)-7-(4-ethylpiperazin-1-yl)-5-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 24219794
3-(2-Chlorophenyl)-5-methyl-7-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 24219798
Tert-butyl 3-(7-chloro-2-fluoropyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate
CID 89173831
5-Methyl-2-piperidin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 141315181
7-Chloro-5-methyl-6-propan-2-yl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine
CID 142428707
7-Chloro-6-ethyl-5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine
CID 146588721
7-Chloro-5,6-diethyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidine
CID 146588722

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-cyclopropyl-2-(4,4-difluoro-1-methylpiperidin-2-yl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-5-cyclopropyl-2-(4,4-difluoro-1-methylpiperidin-2-yl)pyrazolo[1,5-a]pyrimidine (CID 154969585) is 7-chloro-5-cyclopropyl-2-(4,4-difluoro-1-methylpiperidin-2-yl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-5-cyclopropyl-2-(4,4-difluoro-1-methylpiperidin-2-yl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-5-cyclopropyl-2-(4,4-difluoro-1-methylpiperidin-2-yl)pyrazolo[1,5-a]pyrimidine is CN1CCC(F)(F)CC1c1cc2nc(C3CC3)cc(Cl)n2n1.
What is the InChIKey of 7-chloro-5-cyclopropyl-2-(4,4-difluoro-1-methylpiperidin-2-yl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is FVSJYXPXKADYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClF2N4/c1-21-5-4-15(17,18)8-12(21)11-7-14-19-10(9-2-3-9)6-13(16)22(14)20-11/h6-7,9,12H,2-5,8H2,1H3.
What are the key properties of 7-chloro-5-cyclopropyl-2-(4,4-difluoro-1-methylpiperidin-2-yl)pyrazolo[1,5-a]pyrimidine?
7-chloro-5-cyclopropyl-2-(4,4-difluoro-1-methylpiperidin-2-yl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 326.78 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-cyclopropyl-2-(4,4-difluoro-1-methylpiperidin-2-yl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 154969585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).