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

C7H10F3N3 — CID 25252407

IUPAC1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-amine
SMILESCC(C)n1nc(C(F)(F)F)cc1N
InChIInChI=1S/C7H10F3N3/c1-4(2)13-6(11)3-5(12-13)7(8,9)10/h3-4H,11H2,1-2H3
InChIKeyRTGBQXBEERUFTJ-UHFFFAOYSA-N
MW193.17 g/mol
LogP2.07
Rot. Bonds1

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

1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-amine (PubChem CID 25252407) has the molecular formula C7H10F3N3 and a molecular weight of 193.17 g/mol. Its IUPAC name is 1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-amine.

Molecular Properties

Compound Name1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-amine
PubChem CID25252407
Molecular FormulaC7H10F3N3
Molecular Weight193.17 g/mol
Exact Mass193.08
IUPAC Name1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-amine
SMILESCC(C)n1nc(C(F)(F)F)cc1N
InChIInChI=1S/C7H10F3N3/c1-4(2)13-6(11)3-5(12-13)7(8,9)10/h3-4H,11H2,1-2H3
InChIKeyRTGBQXBEERUFTJ-UHFFFAOYSA-N
XLogP2.07
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 52.07
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-tert-Butyl-3-methyl-1H-pyrazol-5-amine
CID 737200
1-Ethyl-3-methyl-1H-pyrazol-5-amine
CID 2768383
2-(5-Amino-3-methyl-1H-pyrazol-1-yl)ethan-1-ol
CID 5018373
3-methyl-1-pentyl-1H-pyrazol-5-amine
CID 2828712
5-Methyl-2-(1-methyl-piperidin-4-yl)-2H-pyrazol-3-ylamine
CID 646883
1,5-dimethyl-1H-pyrazol-3-amine
CID 7017747
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
3-Methyl-1-propyl-1H-pyrazol-5-amine
CID 1094292

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-amine?
The IUPAC name of 1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-amine (CID 25252407) is 1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-amine.
What is the SMILES notation for 1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-amine?
The canonical SMILES for 1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-amine is CC(C)n1nc(C(F)(F)F)cc1N.
What is the InChIKey of 1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-amine?
The InChIKey is RTGBQXBEERUFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3/c1-4(2)13-6(11)3-5(12-13)7(8,9)10/h3-4H,11H2,1-2H3.
What are the key properties of 1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-amine?
1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-amine has a molecular weight of 193.17 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-amine is sourced from PubChem (CID 25252407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).