N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-3,3,3-trifluoropropan-1-amine

C13H17F3N4 — CID 63226148

IUPACN-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-3,3,3-trifluoropropan-1-amine
SMILESCc1cc2ncc(C(C)NCCC(F)(F)F)c(C)n2n1
InChIInChI=1S/C13H17F3N4/c1-8-6-12-18-7-11(10(3)20(12)19-8)9(2)17-5-4-13(14,15)16/h6-7,9,17H,4-5H2,1-3H3
InChIKeyYGZFGNLVPGJKDF-UHFFFAOYSA-N
MW286.30 g/mol
LogP2.95
Rot. Bonds4

About N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-3,3,3-trifluoropropan-1-amine

N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-3,3,3-trifluoropropan-1-amine (PubChem CID 63226148) has the molecular formula C13H17F3N4 and a molecular weight of 286.30 g/mol. Its IUPAC name is N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound NameN-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-3,3,3-trifluoropropan-1-amine
PubChem CID63226148
Molecular FormulaC13H17F3N4
Molecular Weight286.30 g/mol
Exact Mass286.14
IUPAC NameN-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-3,3,3-trifluoropropan-1-amine
SMILESCc1cc2ncc(C(C)NCCC(F)(F)F)c(C)n2n1
InChIInChI=1S/C13H17F3N4/c1-8-6-12-18-7-11(10(3)20(12)19-8)9(2)17-5-4-13(14,15)16/h6-7,9,17H,4-5H2,1-3H3
InChIKeyYGZFGNLVPGJKDF-UHFFFAOYSA-N
XLogP2.95
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-3,3,3-trifluoropropan-1-amine?
The IUPAC name of N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-3,3,3-trifluoropropan-1-amine (CID 63226148) is N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-3,3,3-trifluoropropan-1-amine is Cc1cc2ncc(C(C)NCCC(F)(F)F)c(C)n2n1.
What is the InChIKey of N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-3,3,3-trifluoropropan-1-amine?
The InChIKey is YGZFGNLVPGJKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N4/c1-8-6-12-18-7-11(10(3)20(12)19-8)9(2)17-5-4-13(14,15)16/h6-7,9,17H,4-5H2,1-3H3.
What are the key properties of N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-3,3,3-trifluoropropan-1-amine?
N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-3,3,3-trifluoropropan-1-amine has a molecular weight of 286.30 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 63226148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).