1-methyl-3-(trifluoromethyl)pyrazol-5-amine

C5H6F3N3 — CID 19623303

IUPAC1-methyl-3-(trifluoromethyl)pyrazol-5-amine
SMILESCn1nc(C(F)(F)F)cc1N
InChIInChI=1S/C5H6F3N3/c1-11-4(9)2-3(10-11)5(6,7)8/h2H,9H2,1H3
InChIKeyOLHYDPWIFFDQPA-UHFFFAOYSA-N
MW165.12 g/mol
LogP1.02
Rot. Bonds

About 1-methyl-3-(trifluoromethyl)pyrazol-5-amine

1-methyl-3-(trifluoromethyl)pyrazol-5-amine (PubChem CID 19623303) has the molecular formula C5H6F3N3 and a molecular weight of 165.12 g/mol. Its IUPAC name is 1-methyl-3-(trifluoromethyl)pyrazol-5-amine.

Molecular Properties

Compound Name1-methyl-3-(trifluoromethyl)pyrazol-5-amine
PubChem CID19623303
Molecular FormulaC5H6F3N3
Molecular Weight165.12 g/mol
Exact Mass165.05
IUPAC Name1-methyl-3-(trifluoromethyl)pyrazol-5-amine
SMILESCn1nc(C(F)(F)F)cc1N
InChIInChI=1S/C5H6F3N3/c1-11-4(9)2-3(10-11)5(6,7)8/h2H,9H2,1H3
InChIKeyOLHYDPWIFFDQPA-UHFFFAOYSA-N
XLogP1.02
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.12
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-Dimethyl-1H-pyrazol-5-amine
CID 520721
1-Isopropyl-3-methyl-1H-pyrazol-5-amine
CID 121018
1-Ethyl-3-methyl-1H-pyrazol-5-amine
CID 2768383
3-methyl-1-pentyl-1H-pyrazol-5-amine
CID 2828712
1,5-dimethyl-1H-pyrazol-3-amine
CID 7017747
1-Cyclopentyl-3-methyl-1H-pyrazol-5-amine
CID 3152524
5-Methyl-1-(1-methylethyl)-1H-pyrazol-3-amine
CID 7176029
3-Methyl-1-propyl-1H-pyrazol-5-amine
CID 1094292
3-(5-amino-3-methyl-1H-pyrazol-1-yl)propanenitrile
CID 2328311
5-Amino-N,N,3-trimethyl-1H-pyrazole-1-ethanamine
CID 2758501
1-ethyl-5-methyl-1H-pyrazol-3-amine
CID 6485384
5-Isothiocyanato-1,3-dimethyl-1H-pyrazole
CID 10654427

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(trifluoromethyl)pyrazol-5-amine?
The IUPAC name of 1-methyl-3-(trifluoromethyl)pyrazol-5-amine (CID 19623303) is 1-methyl-3-(trifluoromethyl)pyrazol-5-amine.
What is the SMILES notation for 1-methyl-3-(trifluoromethyl)pyrazol-5-amine?
The canonical SMILES for 1-methyl-3-(trifluoromethyl)pyrazol-5-amine is Cn1nc(C(F)(F)F)cc1N.
What is the InChIKey of 1-methyl-3-(trifluoromethyl)pyrazol-5-amine?
The InChIKey is OLHYDPWIFFDQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3N3/c1-11-4(9)2-3(10-11)5(6,7)8/h2H,9H2,1H3.
What are the key properties of 1-methyl-3-(trifluoromethyl)pyrazol-5-amine?
1-methyl-3-(trifluoromethyl)pyrazol-5-amine has a molecular weight of 165.12 g/mol, XLogP of 1.02, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(trifluoromethyl)pyrazol-5-amine is sourced from PubChem (CID 19623303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).