3-(4,4-difluorocyclohexyl)pyrazolo[1,5-a]pyrimidin-5-amine

C12H14F2N4 — CID 176899045

IUPAC3-(4,4-difluorocyclohexyl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESNc1ccn2ncc(C3CCC(F)(F)CC3)c2n1
InChIInChI=1S/C12H14F2N4/c13-12(14)4-1-8(2-5-12)9-7-16-18-6-3-10(15)17-11(9)18/h3,6-8H,1-2,4-5H2,(H2,15,17)
InChIKeyBSDXWSBQXJRTPH-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.60
Rot. Bonds1

About 3-(4,4-difluorocyclohexyl)pyrazolo[1,5-a]pyrimidin-5-amine

3-(4,4-difluorocyclohexyl)pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 176899045) has the molecular formula C12H14F2N4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 3-(4,4-difluorocyclohexyl)pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound Name3-(4,4-difluorocyclohexyl)pyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID176899045
Molecular FormulaC12H14F2N4
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name3-(4,4-difluorocyclohexyl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESNc1ccn2ncc(C3CCC(F)(F)CC3)c2n1
InChIInChI=1S/C12H14F2N4/c13-12(14)4-1-8(2-5-12)9-7-16-18-6-3-10(15)17-11(9)18/h3,6-8H,1-2,4-5H2,(H2,15,17)
InChIKeyBSDXWSBQXJRTPH-UHFFFAOYSA-N
XLogP2.60
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Methyl-6-[5-(trifluoromethyl)-4,5,6,7-tetra-hydro-2h-indazol-2-yl]pyrimidin-2-amine
CID 129749248
4-(5-Difluoromethyl-4,5,6,7-tetrahydro-2h-indazol-2-yl)-6-methylpyrimidin-2-amine
CID 129749291
3-(3-Fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-amine
CID 68751731
8-cyclopentyl-N-methyl-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 68940652
5-sec-butyl-6-fluoro-2-(1H-pyrazol-1-yl)-N-(2,2,2-trifluoroethyl)pyrimidine-4-amine
CID 68949693
5-Sec-butyl-n4, n4-diethyl-2-(1h-pyrazol-1-yl)-n6-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 69254965
8-(4-Trifluoromethyl-cyclohexyl)-[1,2,4]triazolo[1,5-a]pyridine-2-yl-amine
CID 70655230
6-butan-2-yl-5-chloro-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 87740251
(Z,3E)-3-prop-2-enylidene-N'-[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]but-1-ene-1,4-diamine
CID 89301436
2-Piperazin-1-yl-3-(2,3,3-trifluoropropyl)pyrazolo[1,5-a]pyrimidine
CID 89810595
2-Piperazin-1-yl-3-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyrimidine
CID 89810597
2-Piperazin-1-yl-3-(1,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine
CID 89811449

Frequently Asked Questions

What is the IUPAC name of 3-(4,4-difluorocyclohexyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of 3-(4,4-difluorocyclohexyl)pyrazolo[1,5-a]pyrimidin-5-amine (CID 176899045) is 3-(4,4-difluorocyclohexyl)pyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for 3-(4,4-difluorocyclohexyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for 3-(4,4-difluorocyclohexyl)pyrazolo[1,5-a]pyrimidin-5-amine is Nc1ccn2ncc(C3CCC(F)(F)CC3)c2n1.
What is the InChIKey of 3-(4,4-difluorocyclohexyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is BSDXWSBQXJRTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N4/c13-12(14)4-1-8(2-5-12)9-7-16-18-6-3-10(15)17-11(9)18/h3,6-8H,1-2,4-5H2,(H2,15,17).
What are the key properties of 3-(4,4-difluorocyclohexyl)pyrazolo[1,5-a]pyrimidin-5-amine?
3-(4,4-difluorocyclohexyl)pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 252.27 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-difluorocyclohexyl)pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 176899045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).