1-(2-methylpropyl)-5-(trifluoromethyl)pyrazol-3-amine

C8H12F3N3 — CID 79872620

IUPAC1-(2-methylpropyl)-5-(trifluoromethyl)pyrazol-3-amine
SMILESCC(C)Cn1nc(N)cc1C(F)(F)F
InChIInChI=1S/C8H12F3N3/c1-5(2)4-14-6(8(9,10)11)3-7(12)13-14/h3,5H,4H2,1-2H3,(H2,12,13)
InChIKeyUYISIQUILSWWRD-UHFFFAOYSA-N
MW207.20 g/mol
LogP2.14
Rot. Bonds2

About 1-(2-methylpropyl)-5-(trifluoromethyl)pyrazol-3-amine

1-(2-methylpropyl)-5-(trifluoromethyl)pyrazol-3-amine (PubChem CID 79872620) has the molecular formula C8H12F3N3 and a molecular weight of 207.20 g/mol. Its IUPAC name is 1-(2-methylpropyl)-5-(trifluoromethyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-(2-methylpropyl)-5-(trifluoromethyl)pyrazol-3-amine
PubChem CID79872620
Molecular FormulaC8H12F3N3
Molecular Weight207.20 g/mol
Exact Mass207.10
IUPAC Name1-(2-methylpropyl)-5-(trifluoromethyl)pyrazol-3-amine
SMILESCC(C)Cn1nc(N)cc1C(F)(F)F
InChIInChI=1S/C8H12F3N3/c1-5(2)4-14-6(8(9,10)11)3-7(12)13-14/h3,5H,4H2,1-2H3,(H2,12,13)
InChIKeyUYISIQUILSWWRD-UHFFFAOYSA-N
XLogP2.14
TPSA43.84 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 ≤ 52.14
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
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-(1-Cyclopropylethyl)-3-methyl-1H-pyrazol-5-amine
CID 6484423

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-5-(trifluoromethyl)pyrazol-3-amine?
The IUPAC name of 1-(2-methylpropyl)-5-(trifluoromethyl)pyrazol-3-amine (CID 79872620) is 1-(2-methylpropyl)-5-(trifluoromethyl)pyrazol-3-amine.
What is the SMILES notation for 1-(2-methylpropyl)-5-(trifluoromethyl)pyrazol-3-amine?
The canonical SMILES for 1-(2-methylpropyl)-5-(trifluoromethyl)pyrazol-3-amine is CC(C)Cn1nc(N)cc1C(F)(F)F.
What is the InChIKey of 1-(2-methylpropyl)-5-(trifluoromethyl)pyrazol-3-amine?
The InChIKey is UYISIQUILSWWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3/c1-5(2)4-14-6(8(9,10)11)3-7(12)13-14/h3,5H,4H2,1-2H3,(H2,12,13).
What are the key properties of 1-(2-methylpropyl)-5-(trifluoromethyl)pyrazol-3-amine?
1-(2-methylpropyl)-5-(trifluoromethyl)pyrazol-3-amine has a molecular weight of 207.20 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-5-(trifluoromethyl)pyrazol-3-amine is sourced from PubChem (CID 79872620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).