3-(2-methylpyrazol-3-yl)-1-[4-(trifluoromethoxy)phenyl]propan-1-amine

C14H16F3N3O — CID 103031051

IUPAC3-(2-methylpyrazol-3-yl)-1-[4-(trifluoromethoxy)phenyl]propan-1-amine
SMILESCn1nccc1CCC(N)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H16F3N3O/c1-20-11(8-9-19-20)4-7-13(18)10-2-5-12(6-3-10)21-14(15,16)17/h2-3,5-6,8-9,13H,4,7,18H2,1H3
InChIKeyRWOBVSSLCORPHR-UHFFFAOYSA-N
MW299.30 g/mol
LogP2.95
Rot. Bonds5

About 3-(2-methylpyrazol-3-yl)-1-[4-(trifluoromethoxy)phenyl]propan-1-amine

3-(2-methylpyrazol-3-yl)-1-[4-(trifluoromethoxy)phenyl]propan-1-amine (PubChem CID 103031051) has the molecular formula C14H16F3N3O and a molecular weight of 299.30 g/mol. Its IUPAC name is 3-(2-methylpyrazol-3-yl)-1-[4-(trifluoromethoxy)phenyl]propan-1-amine.

Molecular Properties

Compound Name3-(2-methylpyrazol-3-yl)-1-[4-(trifluoromethoxy)phenyl]propan-1-amine
PubChem CID103031051
Molecular FormulaC14H16F3N3O
Molecular Weight299.30 g/mol
Exact Mass299.12
IUPAC Name3-(2-methylpyrazol-3-yl)-1-[4-(trifluoromethoxy)phenyl]propan-1-amine
SMILESCn1nccc1CCC(N)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H16F3N3O/c1-20-11(8-9-19-20)4-7-13(18)10-2-5-12(6-3-10)21-14(15,16)17/h2-3,5-6,8-9,13H,4,7,18H2,1H3
InChIKeyRWOBVSSLCORPHR-UHFFFAOYSA-N
XLogP2.95
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-methylimidazol-2-yl)-1-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 105049951
3-(2-methylpyrazol-3-yl)-1-(4-methylsulfanylphenyl)propan-1-amine
CID 103030963
3-(2-methylpyrazol-3-yl)-1-pyrimidin-5-ylpropan-1-amine
CID 103030546
1-(3,5-dimethylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030528
(1S)-3-fluoro-1-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 171227277
1-(1-methylpyrazol-4-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103010531
(1S)-1-[4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]propan-1-amine
CID 102999817
4,4,4-trifluoro-1-[4-(trifluoromethoxy)phenyl]butan-1-amine
CID 104992805
(1R)-4,4,4-trifluoro-1-[4-(trifluoromethoxy)phenyl]butan-1-amine
CID 171207695
(2-methylpyrazol-3-yl)-[4-(trifluoromethoxy)phenyl]methanol
CID 63963696
1-(2,5-dimethoxyphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103031048
1-(4-methoxyphenyl)-5-(2-methylpyrazol-3-yl)pentan-3-amine
CID 103030537

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpyrazol-3-yl)-1-[4-(trifluoromethoxy)phenyl]propan-1-amine?
The IUPAC name of 3-(2-methylpyrazol-3-yl)-1-[4-(trifluoromethoxy)phenyl]propan-1-amine (CID 103031051) is 3-(2-methylpyrazol-3-yl)-1-[4-(trifluoromethoxy)phenyl]propan-1-amine.
What is the SMILES notation for 3-(2-methylpyrazol-3-yl)-1-[4-(trifluoromethoxy)phenyl]propan-1-amine?
The canonical SMILES for 3-(2-methylpyrazol-3-yl)-1-[4-(trifluoromethoxy)phenyl]propan-1-amine is Cn1nccc1CCC(N)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 3-(2-methylpyrazol-3-yl)-1-[4-(trifluoromethoxy)phenyl]propan-1-amine?
The InChIKey is RWOBVSSLCORPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O/c1-20-11(8-9-19-20)4-7-13(18)10-2-5-12(6-3-10)21-14(15,16)17/h2-3,5-6,8-9,13H,4,7,18H2,1H3.
What are the key properties of 3-(2-methylpyrazol-3-yl)-1-[4-(trifluoromethoxy)phenyl]propan-1-amine?
3-(2-methylpyrazol-3-yl)-1-[4-(trifluoromethoxy)phenyl]propan-1-amine has a molecular weight of 299.30 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpyrazol-3-yl)-1-[4-(trifluoromethoxy)phenyl]propan-1-amine is sourced from PubChem (CID 103031051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).