5-[(1R)-1-cyclopropylpropyl]-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine

C13H15F3N4 — CID 170416907

IUPAC5-[(1R)-1-cyclopropylpropyl]-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC[C@@H](c1cc(N)n2ncc(C(F)(F)F)c2n1)C1CC1
InChIInChI=1S/C13H15F3N4/c1-2-8(7-3-4-7)10-5-11(17)20-12(19-10)9(6-18-20)13(14,15)16/h5-8H,2-4,17H2,1H3/t8-/m1/s1
InChIKeyIWHVRGMGFDFNRO-MRVPVSSYSA-N
MW284.29 g/mol
LogP3.23
Rot. Bonds3

About 5-[(1R)-1-cyclopropylpropyl]-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine

5-[(1R)-1-cyclopropylpropyl]-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 170416907) has the molecular formula C13H15F3N4 and a molecular weight of 284.29 g/mol. Its IUPAC name is 5-[(1R)-1-cyclopropylpropyl]-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-[(1R)-1-cyclopropylpropyl]-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID170416907
Molecular FormulaC13H15F3N4
Molecular Weight284.29 g/mol
Exact Mass284.12
IUPAC Name5-[(1R)-1-cyclopropylpropyl]-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC[C@@H](c1cc(N)n2ncc(C(F)(F)F)c2n1)C1CC1
InChIInChI=1S/C13H15F3N4/c1-2-8(7-3-4-7)10-5-11(17)20-12(19-10)9(6-18-20)13(14,15)16/h5-8H,2-4,17H2,1H3/t8-/m1/s1
InChIKeyIWHVRGMGFDFNRO-MRVPVSSYSA-N
XLogP3.23
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Istisociclib
CID 146502834
5-(Piperidin-3-yl)-3-(prop-1-enyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16046077
5-(Piperidin-3-yl)-3-(prop-1-ynyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16224560
3-Bromo-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 53325998
5-Methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 652106
3-(4-Fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 1474460
3-Ethyl-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 53318090
7-Amino-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 53319425
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
7-Cyclopropylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 1485518
7-Cyclopropyl-3-methylpyrazolo[1,5-a]pyrimidine
CID 1485522

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-cyclopropylpropyl]-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-[(1R)-1-cyclopropylpropyl]-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 170416907) is 5-[(1R)-1-cyclopropylpropyl]-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-[(1R)-1-cyclopropylpropyl]-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-[(1R)-1-cyclopropylpropyl]-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine is CC[C@@H](c1cc(N)n2ncc(C(F)(F)F)c2n1)C1CC1.
What is the InChIKey of 5-[(1R)-1-cyclopropylpropyl]-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is IWHVRGMGFDFNRO-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H15F3N4/c1-2-8(7-3-4-7)10-5-11(17)20-12(19-10)9(6-18-20)13(14,15)16/h5-8H,2-4,17H2,1H3/t8-/m1/s1.
What are the key properties of 5-[(1R)-1-cyclopropylpropyl]-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
5-[(1R)-1-cyclopropylpropyl]-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 284.29 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-cyclopropylpropyl]-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 170416907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).