5-cyclopropyl-N-[1-(2-methoxyethyl)-3-(trifluoromethyl)pyrazol-4-yl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine

C15H16F3N7O — CID 90104673

IUPAC5-cyclopropyl-N-[1-(2-methoxyethyl)-3-(trifluoromethyl)pyrazol-4-yl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine
SMILESCOCCn1cc(Nc2nc(C3CC3)nc3cn[nH]c23)c(C(F)(F)F)n1
InChIInChI=1S/C15H16F3N7O/c1-26-5-4-25-7-10(12(24-25)15(16,17)18)21-14-11-9(6-19-23-11)20-13(22-14)8-2-3-8/h6-8H,2-5H2,1H3,(H,19,23)(H,20,21,22)
InChIKeyIJWXDUGVQLGQLY-UHFFFAOYSA-N
MW367.34 g/mol
LogP2.84
Rot. Bonds6

About 5-cyclopropyl-N-[1-(2-methoxyethyl)-3-(trifluoromethyl)pyrazol-4-yl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine

5-cyclopropyl-N-[1-(2-methoxyethyl)-3-(trifluoromethyl)pyrazol-4-yl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine (PubChem CID 90104673) has the molecular formula C15H16F3N7O and a molecular weight of 367.34 g/mol. Its IUPAC name is 5-cyclopropyl-N-[1-(2-methoxyethyl)-3-(trifluoromethyl)pyrazol-4-yl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name5-cyclopropyl-N-[1-(2-methoxyethyl)-3-(trifluoromethyl)pyrazol-4-yl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine
PubChem CID90104673
Molecular FormulaC15H16F3N7O
Molecular Weight367.34 g/mol
Exact Mass367.14
IUPAC Name5-cyclopropyl-N-[1-(2-methoxyethyl)-3-(trifluoromethyl)pyrazol-4-yl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine
SMILESCOCCn1cc(Nc2nc(C3CC3)nc3cn[nH]c23)c(C(F)(F)F)n1
InChIInChI=1S/C15H16F3N7O/c1-26-5-4-25-7-10(12(24-25)15(16,17)18)21-14-11-9(6-19-23-11)20-13(22-14)8-2-3-8/h6-8H,2-5H2,1H3,(H,19,23)(H,20,21,22)
InChIKeyIJWXDUGVQLGQLY-UHFFFAOYSA-N
XLogP2.84
TPSA93.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.34
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[1-(2-methoxyethyl)-3-(trifluoromethyl)pyrazol-4-yl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 5-cyclopropyl-N-[1-(2-methoxyethyl)-3-(trifluoromethyl)pyrazol-4-yl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine (CID 90104673) is 5-cyclopropyl-N-[1-(2-methoxyethyl)-3-(trifluoromethyl)pyrazol-4-yl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 5-cyclopropyl-N-[1-(2-methoxyethyl)-3-(trifluoromethyl)pyrazol-4-yl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 5-cyclopropyl-N-[1-(2-methoxyethyl)-3-(trifluoromethyl)pyrazol-4-yl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine is COCCn1cc(Nc2nc(C3CC3)nc3cn[nH]c23)c(C(F)(F)F)n1.
What is the InChIKey of 5-cyclopropyl-N-[1-(2-methoxyethyl)-3-(trifluoromethyl)pyrazol-4-yl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is IJWXDUGVQLGQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N7O/c1-26-5-4-25-7-10(12(24-25)15(16,17)18)21-14-11-9(6-19-23-11)20-13(22-14)8-2-3-8/h6-8H,2-5H2,1H3,(H,19,23)(H,20,21,22).
What are the key properties of 5-cyclopropyl-N-[1-(2-methoxyethyl)-3-(trifluoromethyl)pyrazol-4-yl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
5-cyclopropyl-N-[1-(2-methoxyethyl)-3-(trifluoromethyl)pyrazol-4-yl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 367.34 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[1-(2-methoxyethyl)-3-(trifluoromethyl)pyrazol-4-yl]-1H-pyrazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 90104673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).