4-methyl-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine

C11H16F3N3 — CID 64758209

IUPAC4-methyl-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine
SMILESCc1cnn(C2CCCC(C(F)(F)F)C2)c1N
InChIInChI=1S/C11H16F3N3/c1-7-6-16-17(10(7)15)9-4-2-3-8(5-9)11(12,13)14/h6,8-9H,2-5,15H2,1H3
InChIKeyYPHQAWWOOSZRBH-UHFFFAOYSA-N
MW247.26 g/mol
LogP3.07
Rot. Bonds1

About 4-methyl-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine

4-methyl-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine (PubChem CID 64758209) has the molecular formula C11H16F3N3 and a molecular weight of 247.26 g/mol. Its IUPAC name is 4-methyl-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine.

Molecular Properties

Compound Name4-methyl-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine
PubChem CID64758209
Molecular FormulaC11H16F3N3
Molecular Weight247.26 g/mol
Exact Mass247.13
IUPAC Name4-methyl-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine
SMILESCc1cnn(C2CCCC(C(F)(F)F)C2)c1N
InChIInChI=1S/C11H16F3N3/c1-7-6-16-17(10(7)15)9-4-2-3-8(5-9)11(12,13)14/h6,8-9H,2-5,15H2,1H3
InChIKeyYPHQAWWOOSZRBH-UHFFFAOYSA-N
XLogP3.07
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-1-(cyclohexylmethyl)-1H-pyrazole-4-carbonitrile
CID 684453
4-Methyl-1-(1-methylpiperidin-4-yl)-1h-pyrazol-5-amine
CID 645994
1-cyclohexyl-4-methyl-1H-pyrazol-3-amine
CID 62678120
4-bromo-1-[4-(trifluoromethyl)cyclohexyl]-1H-pyrazol-5-amine
CID 64754280
5-Amino-1-(4,4-difluorocyclohexyl)-1h-pyrazole-4-carbonitrile
CID 58416683
5-Amino-1-(4-fluorocyclohexyl)pyrazole-4-carbonitrile
CID 69747001
1-Pentyl-4-(trifluoromethyl)pyrazol-5-amine
CID 70407205
1-(4,4-Difluorocyclohexyl)-4,7-dihydropyrazolo[5,4-d]pyrimidine
CID 137100393
4-Methyl-1-(1,1,1-trifluoropropan-2-yl)pyrazol-5-amine
CID 177155519
N-[(1-methylpyrazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 43747382
[4-Methyl-2-[4-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]methanamine
CID 64176286
1-[4-(trifluoromethyl)cyclohexyl]-1H-pyrazol-5-amine
CID 64754078

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine?
The IUPAC name of 4-methyl-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine (CID 64758209) is 4-methyl-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine.
What is the SMILES notation for 4-methyl-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine?
The canonical SMILES for 4-methyl-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine is Cc1cnn(C2CCCC(C(F)(F)F)C2)c1N.
What is the InChIKey of 4-methyl-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine?
The InChIKey is YPHQAWWOOSZRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3/c1-7-6-16-17(10(7)15)9-4-2-3-8(5-9)11(12,13)14/h6,8-9H,2-5,15H2,1H3.
What are the key properties of 4-methyl-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine?
4-methyl-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine has a molecular weight of 247.26 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine is sourced from PubChem (CID 64758209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).