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

C9H15F3N4O — CID 114092970

IUPAC3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]-1,1,1-trifluoropropan-2-ol
SMILESCCn1nc(C)c(N)c1NCC(O)C(F)(F)F
InChIInChI=1S/C9H15F3N4O/c1-3-16-8(7(13)5(2)15-16)14-4-6(17)9(10,11)12/h6,14,17H,3-4,13H2,1-2H3
InChIKeySBVARDAWDZMPSG-UHFFFAOYSA-N
MW252.24 g/mol
LogP1.13
Rot. Bonds4

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

3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]-1,1,1-trifluoropropan-2-ol (PubChem CID 114092970) has the molecular formula C9H15F3N4O and a molecular weight of 252.24 g/mol. Its IUPAC name is 3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]-1,1,1-trifluoropropan-2-ol
PubChem CID114092970
Molecular FormulaC9H15F3N4O
Molecular Weight252.24 g/mol
Exact Mass252.12
IUPAC Name3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]-1,1,1-trifluoropropan-2-ol
SMILESCCn1nc(C)c(N)c1NCC(O)C(F)(F)F
InChIInChI=1S/C9H15F3N4O/c1-3-16-8(7(13)5(2)15-16)14-4-6(17)9(10,11)12/h6,14,17H,3-4,13H2,1-2H3
InChIKeySBVARDAWDZMPSG-UHFFFAOYSA-N
XLogP1.13
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 ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N5-Ethyl-1,3-dimethyl-1H-pyrazole-4,5-diamine
CID 43554024
1,3-dimethyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
CID 43554056
5-N,1,3-trimethyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
CID 60892121
1,3-dimethyl-4-nitro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-5-amine
CID 60971160
5-N-ethyl-1,3-dimethyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
CID 61602950
1,3-dimethyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine
CID 63226212
1,3-dimethyl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-4,5-diamine
CID 63828161
5-N,1,3-trimethyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine
CID 65535561
1-ethyl-3-methyl-4-nitro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-5-amine
CID 66011639
1-ethyl-3-methyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine
CID 66011692
1-ethyl-3-methyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
CID 66012005
1-ethyl-3-methyl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-4,5-diamine
CID 66012666

Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]-1,1,1-trifluoropropan-2-ol (CID 114092970) is 3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]-1,1,1-trifluoropropan-2-ol is CCn1nc(C)c(N)c1NCC(O)C(F)(F)F.
What is the InChIKey of 3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]-1,1,1-trifluoropropan-2-ol?
The InChIKey is SBVARDAWDZMPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N4O/c1-3-16-8(7(13)5(2)15-16)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-1-ethyl-3-methylpyrazol-5-yl)amino]-1,1,1-trifluoropropan-2-ol?
3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]-1,1,1-trifluoropropan-2-ol has a molecular weight of 252.24 g/mol, XLogP of 1.13, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 114092970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).