3-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-1,1,1-trifluoropropan-2-ol

C9H15F3N4O — CID 114092925

IUPAC3-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-1,1,1-trifluoropropan-2-ol
SMILESCCc1nn(C)c(NCC(O)C(F)(F)F)c1N
InChIInChI=1S/C9H15F3N4O/c1-3-5-7(13)8(16(2)15-5)14-4-6(17)9(10,11)12/h6,14,17H,3-4,13H2,1-2H3
InChIKeyOZWJGDXLQXXIEX-UHFFFAOYSA-N
MW252.24 g/mol
LogP0.90
Rot. Bonds4

About 3-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-1,1,1-trifluoropropan-2-ol

3-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-1,1,1-trifluoropropan-2-ol (PubChem CID 114092925) has the molecular formula C9H15F3N4O and a molecular weight of 252.24 g/mol. Its IUPAC name is 3-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-1,1,1-trifluoropropan-2-ol
PubChem CID114092925
Molecular FormulaC9H15F3N4O
Molecular Weight252.24 g/mol
Exact Mass252.12
IUPAC Name3-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-1,1,1-trifluoropropan-2-ol
SMILESCCc1nn(C)c(NCC(O)C(F)(F)F)c1N
InChIInChI=1S/C9H15F3N4O/c1-3-5-7(13)8(16(2)15-5)14-4-6(17)9(10,11)12/h6,14,17H,3-4,13H2,1-2H3
InChIKeyOZWJGDXLQXXIEX-UHFFFAOYSA-N
XLogP0.90
TPSA76.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-1,1,1-trifluoropropan-2-ol (CID 114092925) is 3-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-1,1,1-trifluoropropan-2-ol is CCc1nn(C)c(NCC(O)C(F)(F)F)c1N.
What is the InChIKey of 3-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-1,1,1-trifluoropropan-2-ol?
The InChIKey is OZWJGDXLQXXIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N4O/c1-3-5-7(13)8(16(2)15-5)14-4-6(17)9(10,11)12/h6,14,17H,3-4,13H2,1-2H3.
What are the key properties of 3-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-1,1,1-trifluoropropan-2-ol?
3-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-1,1,1-trifluoropropan-2-ol has a molecular weight of 252.24 g/mol, XLogP of 0.90, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 114092925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).