1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propan-2-ol

C13H21F3N4O — CID 63946861

IUPAC1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propan-2-ol
SMILESCc1nn(CC(O)CN(CC(F)(F)F)C2CC2)c(C)c1N
InChIInChI=1S/C13H21F3N4O/c1-8-12(17)9(2)20(18-8)6-11(21)5-19(10-3-4-10)7-13(14,15)16/h10-11,21H,3-7,17H2,1-2H3
InChIKeyVLFWPVYZXRCPEC-UHFFFAOYSA-N
MW306.33 g/mol
LogP1.47
Rot. Bonds6

About 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propan-2-ol

1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propan-2-ol (PubChem CID 63946861) has the molecular formula C13H21F3N4O and a molecular weight of 306.33 g/mol. Its IUPAC name is 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propan-2-ol
PubChem CID63946861
Molecular FormulaC13H21F3N4O
Molecular Weight306.33 g/mol
Exact Mass306.17
IUPAC Name1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propan-2-ol
SMILESCc1nn(CC(O)CN(CC(F)(F)F)C2CC2)c(C)c1N
InChIInChI=1S/C13H21F3N4O/c1-8-12(17)9(2)20(18-8)6-11(21)5-19(10-3-4-10)7-13(14,15)16/h10-11,21H,3-7,17H2,1-2H3
InChIKeyVLFWPVYZXRCPEC-UHFFFAOYSA-N
XLogP1.47
TPSA67.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propan-2-ol?
The IUPAC name of 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propan-2-ol (CID 63946861) is 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propan-2-ol.
What is the SMILES notation for 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propan-2-ol?
The canonical SMILES for 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propan-2-ol is Cc1nn(CC(O)CN(CC(F)(F)F)C2CC2)c(C)c1N.
What is the InChIKey of 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propan-2-ol?
The InChIKey is VLFWPVYZXRCPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N4O/c1-8-12(17)9(2)20(18-8)6-11(21)5-19(10-3-4-10)7-13(14,15)16/h10-11,21H,3-7,17H2,1-2H3.
What are the key properties of 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propan-2-ol?
1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propan-2-ol has a molecular weight of 306.33 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propan-2-ol is sourced from PubChem (CID 63946861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).