1-methyl-N-[2-(trifluoromethyl)cyclohexyl]pyrazol-3-amine

C11H16F3N3 — CID 64758690

IUPAC1-methyl-N-[2-(trifluoromethyl)cyclohexyl]pyrazol-3-amine
SMILESCn1ccc(NC2CCCCC2C(F)(F)F)n1
InChIInChI=1S/C11H16F3N3/c1-17-7-6-10(16-17)15-9-5-3-2-4-8(9)11(12,13)14/h6-9H,2-5H2,1H3,(H,15,16)
InChIKeyBNJLREPJZRBJNM-UHFFFAOYSA-N
MW247.26 g/mol
LogP2.95
Rot. Bonds2

About 1-methyl-N-[2-(trifluoromethyl)cyclohexyl]pyrazol-3-amine

1-methyl-N-[2-(trifluoromethyl)cyclohexyl]pyrazol-3-amine (PubChem CID 64758690) has the molecular formula C11H16F3N3 and a molecular weight of 247.26 g/mol. Its IUPAC name is 1-methyl-N-[2-(trifluoromethyl)cyclohexyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-methyl-N-[2-(trifluoromethyl)cyclohexyl]pyrazol-3-amine
PubChem CID64758690
Molecular FormulaC11H16F3N3
Molecular Weight247.26 g/mol
Exact Mass247.13
IUPAC Name1-methyl-N-[2-(trifluoromethyl)cyclohexyl]pyrazol-3-amine
SMILESCn1ccc(NC2CCCCC2C(F)(F)F)n1
InChIInChI=1S/C11H16F3N3/c1-17-7-6-10(16-17)15-9-5-3-2-4-8(9)11(12,13)14/h6-9H,2-5H2,1H3,(H,15,16)
InChIKeyBNJLREPJZRBJNM-UHFFFAOYSA-N
XLogP2.95
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(trifluoromethyl)cyclohexyl]pyrazol-3-amine?
The IUPAC name of 1-methyl-N-[2-(trifluoromethyl)cyclohexyl]pyrazol-3-amine (CID 64758690) is 1-methyl-N-[2-(trifluoromethyl)cyclohexyl]pyrazol-3-amine.
What is the SMILES notation for 1-methyl-N-[2-(trifluoromethyl)cyclohexyl]pyrazol-3-amine?
The canonical SMILES for 1-methyl-N-[2-(trifluoromethyl)cyclohexyl]pyrazol-3-amine is Cn1ccc(NC2CCCCC2C(F)(F)F)n1.
What is the InChIKey of 1-methyl-N-[2-(trifluoromethyl)cyclohexyl]pyrazol-3-amine?
The InChIKey is BNJLREPJZRBJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3/c1-17-7-6-10(16-17)15-9-5-3-2-4-8(9)11(12,13)14/h6-9H,2-5H2,1H3,(H,15,16).
What are the key properties of 1-methyl-N-[2-(trifluoromethyl)cyclohexyl]pyrazol-3-amine?
1-methyl-N-[2-(trifluoromethyl)cyclohexyl]pyrazol-3-amine has a molecular weight of 247.26 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(trifluoromethyl)cyclohexyl]pyrazol-3-amine is sourced from PubChem (CID 64758690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).