1-cyclohexyl-N,4-dimethyl-3-(trifluoromethyl)pyrazol-5-amine

C12H18F3N3 — CID 148637168

IUPAC1-cyclohexyl-N,4-dimethyl-3-(trifluoromethyl)pyrazol-5-amine
SMILESCNc1c(C)c(C(F)(F)F)nn1C1CCCCC1
InChIInChI=1S/C12H18F3N3/c1-8-10(12(13,14)15)17-18(11(8)16-2)9-6-4-3-5-7-9/h9,16H,3-7H2,1-2H3
InChIKeyNJHLFBJFVMWVRH-UHFFFAOYSA-N
MW261.29 g/mol
LogP3.76
Rot. Bonds2

About 1-cyclohexyl-N,4-dimethyl-3-(trifluoromethyl)pyrazol-5-amine

1-cyclohexyl-N,4-dimethyl-3-(trifluoromethyl)pyrazol-5-amine (PubChem CID 148637168) has the molecular formula C12H18F3N3 and a molecular weight of 261.29 g/mol. Its IUPAC name is 1-cyclohexyl-N,4-dimethyl-3-(trifluoromethyl)pyrazol-5-amine.

Molecular Properties

Compound Name1-cyclohexyl-N,4-dimethyl-3-(trifluoromethyl)pyrazol-5-amine
PubChem CID148637168
Molecular FormulaC12H18F3N3
Molecular Weight261.29 g/mol
Exact Mass261.15
IUPAC Name1-cyclohexyl-N,4-dimethyl-3-(trifluoromethyl)pyrazol-5-amine
SMILESCNc1c(C)c(C(F)(F)F)nn1C1CCCCC1
InChIInChI=1S/C12H18F3N3/c1-8-10(12(13,14)15)17-18(11(8)16-2)9-6-4-3-5-7-9/h9,16H,3-7H2,1-2H3
InChIKeyNJHLFBJFVMWVRH-UHFFFAOYSA-N
XLogP3.76
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-amine
CID 33783361
5-Amino-1-cyclohexyl-3-methyl-1H-pyrazole-4-carbonitrile
CID 799242
N,N-diethyl-1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methyl-3-(trifluoromethyl)pyrazol-5-amine
CID 12479247
5-Amino-1-cyclohexyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile
CID 67717841
5-Amino-1-propan-2-yl-3-(trifluoromethyl)pyrazole-4-carbonitrile
CID 100762268
2-Ethyl-4-methyl-5-(trifluoromethyl)pyrazol-3-amine
CID 118153032
2-cyclopentyl-N,4-dimethyl-5-(trifluoromethyl)pyrazol-3-amine
CID 139354629
1-Cyclohexyl-5-(methylamino)-3-(trifluoromethyl)pyrazole-4-carbonitrile
CID 141861150
1-[(3,3-Difluorocyclobutyl)methyl]-4,5-dimethylpyrazol-3-amine
CID 171484747
1,3-dimethyl-4-(methylaminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
CID 55008674
1,3-dimethyl-4-(methylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
CID 55008876
4-(aminomethyl)-1,3-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
CID 55008928

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N,4-dimethyl-3-(trifluoromethyl)pyrazol-5-amine?
The IUPAC name of 1-cyclohexyl-N,4-dimethyl-3-(trifluoromethyl)pyrazol-5-amine (CID 148637168) is 1-cyclohexyl-N,4-dimethyl-3-(trifluoromethyl)pyrazol-5-amine.
What is the SMILES notation for 1-cyclohexyl-N,4-dimethyl-3-(trifluoromethyl)pyrazol-5-amine?
The canonical SMILES for 1-cyclohexyl-N,4-dimethyl-3-(trifluoromethyl)pyrazol-5-amine is CNc1c(C)c(C(F)(F)F)nn1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N,4-dimethyl-3-(trifluoromethyl)pyrazol-5-amine?
The InChIKey is NJHLFBJFVMWVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3/c1-8-10(12(13,14)15)17-18(11(8)16-2)9-6-4-3-5-7-9/h9,16H,3-7H2,1-2H3.
What are the key properties of 1-cyclohexyl-N,4-dimethyl-3-(trifluoromethyl)pyrazol-5-amine?
1-cyclohexyl-N,4-dimethyl-3-(trifluoromethyl)pyrazol-5-amine has a molecular weight of 261.29 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N,4-dimethyl-3-(trifluoromethyl)pyrazol-5-amine is sourced from PubChem (CID 148637168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).