1-methyl-N-propan-2-yl-3-(trifluoromethyl)pyrazol-5-amine

C8H12F3N3 — CID 71633044

IUPAC1-methyl-N-propan-2-yl-3-(trifluoromethyl)pyrazol-5-amine
SMILESCC(C)Nc1cc(C(F)(F)F)nn1C
InChIInChI=1S/C8H12F3N3/c1-5(2)12-7-4-6(8(9,10)11)13-14(7)3/h4-5,12H,1-3H3
InChIKeyVREKZEYCKKIFNH-UHFFFAOYSA-N
MW207.20 g/mol
LogP2.26
Rot. Bonds2

About 1-methyl-N-propan-2-yl-3-(trifluoromethyl)pyrazol-5-amine

1-methyl-N-propan-2-yl-3-(trifluoromethyl)pyrazol-5-amine (PubChem CID 71633044) has the molecular formula C8H12F3N3 and a molecular weight of 207.20 g/mol. Its IUPAC name is 1-methyl-N-propan-2-yl-3-(trifluoromethyl)pyrazol-5-amine.

Molecular Properties

Compound Name1-methyl-N-propan-2-yl-3-(trifluoromethyl)pyrazol-5-amine
PubChem CID71633044
Molecular FormulaC8H12F3N3
Molecular Weight207.20 g/mol
Exact Mass207.10
IUPAC Name1-methyl-N-propan-2-yl-3-(trifluoromethyl)pyrazol-5-amine
SMILESCC(C)Nc1cc(C(F)(F)F)nn1C
InChIInChI=1S/C8H12F3N3/c1-5(2)12-7-4-6(8(9,10)11)13-14(7)3/h4-5,12H,1-3H3
InChIKeyVREKZEYCKKIFNH-UHFFFAOYSA-N
XLogP2.26
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Isopropyl-3-methyl-1H-pyrazol-5-amine
CID 121018
1,3-Dimethyl-1H-pyrazol-5-amine
CID 520721
1-Ethyl-3-methyl-1H-pyrazol-5-amine
CID 2768383
3-methyl-1-pentyl-1H-pyrazol-5-amine
CID 2828712
Guanidine, 1-tert-butyl-2-cyano-3-(1-ethyl-3-methyl-5-pyrazolyl)-
CID 3050769
1-Cyclopentyl-3-methyl-1H-pyrazol-5-amine
CID 3152524
1-Cyclohexyl-3-methyl-1H-pyrazol-5-amine
CID 4571951
5-Methyl-1-(1-methylethyl)-1H-pyrazol-3-amine
CID 7176029
N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,5-dimethylpyrazol-3-amine
CID 71577603
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

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-propan-2-yl-3-(trifluoromethyl)pyrazol-5-amine?
The IUPAC name of 1-methyl-N-propan-2-yl-3-(trifluoromethyl)pyrazol-5-amine (CID 71633044) is 1-methyl-N-propan-2-yl-3-(trifluoromethyl)pyrazol-5-amine.
What is the SMILES notation for 1-methyl-N-propan-2-yl-3-(trifluoromethyl)pyrazol-5-amine?
The canonical SMILES for 1-methyl-N-propan-2-yl-3-(trifluoromethyl)pyrazol-5-amine is CC(C)Nc1cc(C(F)(F)F)nn1C.
What is the InChIKey of 1-methyl-N-propan-2-yl-3-(trifluoromethyl)pyrazol-5-amine?
The InChIKey is VREKZEYCKKIFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3/c1-5(2)12-7-4-6(8(9,10)11)13-14(7)3/h4-5,12H,1-3H3.
What are the key properties of 1-methyl-N-propan-2-yl-3-(trifluoromethyl)pyrazol-5-amine?
1-methyl-N-propan-2-yl-3-(trifluoromethyl)pyrazol-5-amine has a molecular weight of 207.20 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-propan-2-yl-3-(trifluoromethyl)pyrazol-5-amine is sourced from PubChem (CID 71633044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).