3,3,3-trifluoro-2-[(5-methylpyrazol-1-yl)methyl]propan-1-amine

C8H12F3N3 — CID 103366605

IUPAC3,3,3-trifluoro-2-[(5-methylpyrazol-1-yl)methyl]propan-1-amine
SMILESCc1ccnn1CC(CN)C(F)(F)F
InChIInChI=1S/C8H12F3N3/c1-6-2-3-13-14(6)5-7(4-12)8(9,10)11/h2-3,7H,4-5,12H2,1H3
InChIKeyFSOPUEQGIOVDKD-UHFFFAOYSA-N
MW207.20 g/mol
LogP1.33
Rot. Bonds3

About 3,3,3-trifluoro-2-[(5-methylpyrazol-1-yl)methyl]propan-1-amine

3,3,3-trifluoro-2-[(5-methylpyrazol-1-yl)methyl]propan-1-amine (PubChem CID 103366605) has the molecular formula C8H12F3N3 and a molecular weight of 207.20 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[(5-methylpyrazol-1-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[(5-methylpyrazol-1-yl)methyl]propan-1-amine
PubChem CID103366605
Molecular FormulaC8H12F3N3
Molecular Weight207.20 g/mol
Exact Mass207.10
IUPAC Name3,3,3-trifluoro-2-[(5-methylpyrazol-1-yl)methyl]propan-1-amine
SMILESCc1ccnn1CC(CN)C(F)(F)F
InChIInChI=1S/C8H12F3N3/c1-6-2-3-13-14(6)5-7(4-12)8(9,10)11/h2-3,7H,4-5,12H2,1H3
InChIKeyFSOPUEQGIOVDKD-UHFFFAOYSA-N
XLogP1.33
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 ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-methyl-3-(5-methylpyrazol-1-yl)propan-1-amine
CID 42552286
3,3,3-trifluoro-2-[(5-methylpyrazol-1-yl)methyl]propanenitrile
CID 103368158
1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-6-methylpyridin-2-one
CID 103366551
1-[2-(aminomethyl)-3,3,3-trifluoropropyl]cinnolin-4-one
CID 103366550
1-(2,2-dimethylpropyl)-5-methylpyrazole
CID 11858722
methyl 2-bromo-3-(5-methylpyrazol-1-yl)propanoate
CID 81098963
1-amino-2-methyl-4-(5-methylpyrazol-1-yl)butan-2-ol
CID 64818780
2-[2-(2-methylpropyl)pyrazol-3-yl]propan-1-amine
CID 83875873
N-ethyl-2,2-difluoro-3-(5-methylpyrazol-1-yl)propan-1-amine
CID 165467071
2-(5-methylpyrazol-1-yl)-1-(oxolan-3-yl)ethanamine
CID 104747821
1-(2,2-difluoroethyl)-5-propan-2-ylpyrazole;ethane;1-(2-fluoroethyl)-5-methylpyrazole
CID 169160782
1-[(4-fluorophenyl)methyl]-5-methylpyrazole
CID 63278751

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[(5-methylpyrazol-1-yl)methyl]propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-2-[(5-methylpyrazol-1-yl)methyl]propan-1-amine (CID 103366605) is 3,3,3-trifluoro-2-[(5-methylpyrazol-1-yl)methyl]propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-2-[(5-methylpyrazol-1-yl)methyl]propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-2-[(5-methylpyrazol-1-yl)methyl]propan-1-amine is Cc1ccnn1CC(CN)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[(5-methylpyrazol-1-yl)methyl]propan-1-amine?
The InChIKey is FSOPUEQGIOVDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3/c1-6-2-3-13-14(6)5-7(4-12)8(9,10)11/h2-3,7H,4-5,12H2,1H3.
What are the key properties of 3,3,3-trifluoro-2-[(5-methylpyrazol-1-yl)methyl]propan-1-amine?
3,3,3-trifluoro-2-[(5-methylpyrazol-1-yl)methyl]propan-1-amine has a molecular weight of 207.20 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[(5-methylpyrazol-1-yl)methyl]propan-1-amine is sourced from PubChem (CID 103366605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).