4-[4-amino-3-(trifluoromethyl)pyrazol-1-yl]-3-methylcyclohexane-1-carboxylic acid

C12H16F3N3O2 — CID 146599648

IUPAC4-[4-amino-3-(trifluoromethyl)pyrazol-1-yl]-3-methylcyclohexane-1-carboxylic acid
SMILESCC1CC(C(=O)O)CCC1n1cc(N)c(C(F)(F)F)n1
InChIInChI=1S/C12H16F3N3O2/c1-6-4-7(11(19)20)2-3-9(6)18-5-8(16)10(17-18)12(13,14)15/h5-7,9H,2-4,16H2,1H3,(H,19,20)
InChIKeyJGFQEEWCRUWYRJ-UHFFFAOYSA-N
MW291.27 g/mol
LogP2.55
Rot. Bonds2

About 4-[4-amino-3-(trifluoromethyl)pyrazol-1-yl]-3-methylcyclohexane-1-carboxylic acid

4-[4-amino-3-(trifluoromethyl)pyrazol-1-yl]-3-methylcyclohexane-1-carboxylic acid (PubChem CID 146599648) has the molecular formula C12H16F3N3O2 and a molecular weight of 291.27 g/mol. Its IUPAC name is 4-[4-amino-3-(trifluoromethyl)pyrazol-1-yl]-3-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[4-amino-3-(trifluoromethyl)pyrazol-1-yl]-3-methylcyclohexane-1-carboxylic acid
PubChem CID146599648
Molecular FormulaC12H16F3N3O2
Molecular Weight291.27 g/mol
Exact Mass291.12
IUPAC Name4-[4-amino-3-(trifluoromethyl)pyrazol-1-yl]-3-methylcyclohexane-1-carboxylic acid
SMILESCC1CC(C(=O)O)CCC1n1cc(N)c(C(F)(F)F)n1
InChIInChI=1S/C12H16F3N3O2/c1-6-4-7(11(19)20)2-3-9(6)18-5-8(16)10(17-18)12(13,14)15/h5-7,9H,2-4,16H2,1H3,(H,19,20)
InChIKeyJGFQEEWCRUWYRJ-UHFFFAOYSA-N
XLogP2.55
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 4-[4-amino-3-(trifluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylate
CID 146598521
Cyclohexanemethanol, 4-[4-amino-3-(difluoromethyl)-1H-pyrazol-1-yl]-, trans-
CID 146598754
Ethyl 4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylate
CID 146598928
Methyl 2-[4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]cyclohexyl]acetate
CID 146599001
4-[3-(Difluoromethyl)-4-nitropyrazol-1-yl]-2-methylcyclohexane-1-carboxylic acid
CID 146599184
4-[4-Amino-3-(difluoromethyl)pyrazol-1-yl]-3-methylcyclohexane-1-carboxylic acid
CID 146599255
Methyl trans-4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]cyclohexanecarboxylate
CID 146599312
2-Methyl-4-[4-nitro-3-(trifluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylic acid
CID 146599797
[4-[4-Amino-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]methanol
CID 146599838
Methyl 4-[4-nitro-3-(trifluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylate
CID 146599845
1-[4-[4-Amino-3-(difluoromethyl)pyrazol-1-yl]cyclohexyl]ethanone
CID 160629086
Methyl 2-[4-amino-3-(difluoromethyl)pyrazol-1-yl]spiro[3.3]heptane-6-carboxylate
CID 164596412

Frequently Asked Questions

What is the IUPAC name of 4-[4-amino-3-(trifluoromethyl)pyrazol-1-yl]-3-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 4-[4-amino-3-(trifluoromethyl)pyrazol-1-yl]-3-methylcyclohexane-1-carboxylic acid (CID 146599648) is 4-[4-amino-3-(trifluoromethyl)pyrazol-1-yl]-3-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[4-amino-3-(trifluoromethyl)pyrazol-1-yl]-3-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[4-amino-3-(trifluoromethyl)pyrazol-1-yl]-3-methylcyclohexane-1-carboxylic acid is CC1CC(C(=O)O)CCC1n1cc(N)c(C(F)(F)F)n1.
What is the InChIKey of 4-[4-amino-3-(trifluoromethyl)pyrazol-1-yl]-3-methylcyclohexane-1-carboxylic acid?
The InChIKey is JGFQEEWCRUWYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O2/c1-6-4-7(11(19)20)2-3-9(6)18-5-8(16)10(17-18)12(13,14)15/h5-7,9H,2-4,16H2,1H3,(H,19,20).
What are the key properties of 4-[4-amino-3-(trifluoromethyl)pyrazol-1-yl]-3-methylcyclohexane-1-carboxylic acid?
4-[4-amino-3-(trifluoromethyl)pyrazol-1-yl]-3-methylcyclohexane-1-carboxylic acid has a molecular weight of 291.27 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-amino-3-(trifluoromethyl)pyrazol-1-yl]-3-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 146599648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).