2-[[4-amino-3-(difluoromethyl)pyrazol-1-yl]methyl]cyclohexane-1-carboxylic acid

C12H17F2N3O2 — CID 175472226

IUPAC2-[[4-amino-3-(difluoromethyl)pyrazol-1-yl]methyl]cyclohexane-1-carboxylic acid
SMILESNc1cn(CC2CCCCC2C(=O)O)nc1C(F)F
InChIInChI=1S/C12H17F2N3O2/c13-11(14)10-9(15)6-17(16-10)5-7-3-1-2-4-8(7)12(18)19/h6-8,11H,1-5,15H2,(H,18,19)
InChIKeyDBGQLYKBSBXFAX-UHFFFAOYSA-N
MW273.28 g/mol
LogP2.29
Rot. Bonds4

About 2-[[4-amino-3-(difluoromethyl)pyrazol-1-yl]methyl]cyclohexane-1-carboxylic acid

2-[[4-amino-3-(difluoromethyl)pyrazol-1-yl]methyl]cyclohexane-1-carboxylic acid (PubChem CID 175472226) has the molecular formula C12H17F2N3O2 and a molecular weight of 273.28 g/mol. Its IUPAC name is 2-[[4-amino-3-(difluoromethyl)pyrazol-1-yl]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[4-amino-3-(difluoromethyl)pyrazol-1-yl]methyl]cyclohexane-1-carboxylic acid
PubChem CID175472226
Molecular FormulaC12H17F2N3O2
Molecular Weight273.28 g/mol
Exact Mass273.13
IUPAC Name2-[[4-amino-3-(difluoromethyl)pyrazol-1-yl]methyl]cyclohexane-1-carboxylic acid
SMILESNc1cn(CC2CCCCC2C(=O)O)nc1C(F)F
InChIInChI=1S/C12H17F2N3O2/c13-11(14)10-9(15)6-17(16-10)5-7-3-1-2-4-8(7)12(18)19/h6-8,11H,1-5,15H2,(H,18,19)
InChIKeyDBGQLYKBSBXFAX-UHFFFAOYSA-N
XLogP2.29
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[4-amino-3-(difluoromethyl)pyrazol-1-yl]methyl]cyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl 4-[4-amino-3-(trifluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylate
CID 146598521
2-[4-[4-Amino-3-(difluoromethyl)pyrazol-1-yl]cyclohexyl]ethanol
CID 146598814
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-[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-[4-[3-(Difluoromethyl)-4-nitropyrazol-1-yl]cyclohexyl]propanoic acid
CID 146599317
4-[4-Amino-3-(trifluoromethyl)pyrazol-1-yl]-3-methylcyclohexane-1-carboxylic acid
CID 146599648
Methyl 1-[4-amino-3-(difluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylate
CID 162470741
[4-Amino-3-(difluoromethyl)pyrazol-1-yl]-cyclohexylmethanol
CID 164596397
Methyl 2-[4-amino-3-(difluoromethyl)pyrazol-1-yl]spiro[3.3]heptane-6-carboxylate
CID 164596412
Methyl 2-[4-[3-(difluoromethyl)-4-(methylamino)pyrazol-1-yl]cyclohexyl]acetate
CID 166733970

Frequently Asked Questions

What is the IUPAC name of 2-[[4-amino-3-(difluoromethyl)pyrazol-1-yl]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[[4-amino-3-(difluoromethyl)pyrazol-1-yl]methyl]cyclohexane-1-carboxylic acid (CID 175472226) is 2-[[4-amino-3-(difluoromethyl)pyrazol-1-yl]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[[4-amino-3-(difluoromethyl)pyrazol-1-yl]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[[4-amino-3-(difluoromethyl)pyrazol-1-yl]methyl]cyclohexane-1-carboxylic acid is Nc1cn(CC2CCCCC2C(=O)O)nc1C(F)F.
What is the InChIKey of 2-[[4-amino-3-(difluoromethyl)pyrazol-1-yl]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is DBGQLYKBSBXFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N3O2/c13-11(14)10-9(15)6-17(16-10)5-7-3-1-2-4-8(7)12(18)19/h6-8,11H,1-5,15H2,(H,18,19).
What are the key properties of 2-[[4-amino-3-(difluoromethyl)pyrazol-1-yl]methyl]cyclohexane-1-carboxylic acid?
2-[[4-amino-3-(difluoromethyl)pyrazol-1-yl]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 273.28 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-amino-3-(difluoromethyl)pyrazol-1-yl]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 175472226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).