4,4,4-trifluoro-3-(1-methylpyrazol-4-yl)butan-1-amine

C8H12F3N3 — CID 82534762

IUPAC4,4,4-trifluoro-3-(1-methylpyrazol-4-yl)butan-1-amine
SMILESCn1cc(C(CCN)C(F)(F)F)cn1
InChIInChI=1S/C8H12F3N3/c1-14-5-6(4-13-14)7(2-3-12)8(9,10)11/h4-5,7H,2-3,12H2,1H3
InChIKeyWAENVDNNMCLBJH-UHFFFAOYSA-N
MW207.20 g/mol
LogP1.41
Rot. Bonds3

About 4,4,4-trifluoro-3-(1-methylpyrazol-4-yl)butan-1-amine

4,4,4-trifluoro-3-(1-methylpyrazol-4-yl)butan-1-amine (PubChem CID 82534762) has the molecular formula C8H12F3N3 and a molecular weight of 207.20 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-(1-methylpyrazol-4-yl)butan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-3-(1-methylpyrazol-4-yl)butan-1-amine
PubChem CID82534762
Molecular FormulaC8H12F3N3
Molecular Weight207.20 g/mol
Exact Mass207.10
IUPAC Name4,4,4-trifluoro-3-(1-methylpyrazol-4-yl)butan-1-amine
SMILESCn1cc(C(CCN)C(F)(F)F)cn1
InChIInChI=1S/C8H12F3N3/c1-14-5-6(4-13-14)7(2-3-12)8(9,10)11/h4-5,7H,2-3,12H2,1H3
InChIKeyWAENVDNNMCLBJH-UHFFFAOYSA-N
XLogP1.41
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4,4,4-trifluoro-3-(1-methylpyrazol-4-yl)butan-1-amine 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

4-amino-1-(1-methylpyrazol-4-yl)butane-1,2-diol
CID 171880658
2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(1-methylpyrazol-4-yl)ethanamine
CID 102721703
(1R)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 93094324
1-(1-methylpyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103147973
N-methyl-1-(1-methylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 60893091
N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 43497243
3,3,3-trifluoro-2-(1-phenylpyrazol-4-yl)propan-1-amine
CID 82534378
1-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103214712
(3R)-3-amino-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 94420132
(1R)-2,2,2-trichloro-1-(1-methylpyrazol-4-yl)ethanol
CID 95969833
(2S)-2-amino-2-(1-methylpyrazol-4-yl)ethanol
CID 93471722
[3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylpyrazol-4-yl)methanamine
CID 107288996

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-(1-methylpyrazol-4-yl)butan-1-amine?
The IUPAC name of 4,4,4-trifluoro-3-(1-methylpyrazol-4-yl)butan-1-amine (CID 82534762) is 4,4,4-trifluoro-3-(1-methylpyrazol-4-yl)butan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-3-(1-methylpyrazol-4-yl)butan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-3-(1-methylpyrazol-4-yl)butan-1-amine is Cn1cc(C(CCN)C(F)(F)F)cn1.
What is the InChIKey of 4,4,4-trifluoro-3-(1-methylpyrazol-4-yl)butan-1-amine?
The InChIKey is WAENVDNNMCLBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3/c1-14-5-6(4-13-14)7(2-3-12)8(9,10)11/h4-5,7H,2-3,12H2,1H3.
What are the key properties of 4,4,4-trifluoro-3-(1-methylpyrazol-4-yl)butan-1-amine?
4,4,4-trifluoro-3-(1-methylpyrazol-4-yl)butan-1-amine has a molecular weight of 207.20 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-(1-methylpyrazol-4-yl)butan-1-amine is sourced from PubChem (CID 82534762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).