2,2,3-trimethyl-4-(1H-pyrazole-4-carbonylamino)cyclohexane-1-carboxylic acid

C14H21N3O3 — CID 102627574

IUPAC2,2,3-trimethyl-4-(1H-pyrazole-4-carbonylamino)cyclohexane-1-carboxylic acid
SMILESCC1C(NC(=O)c2cn[nH]c2)CCC(C(=O)O)C1(C)C
InChIInChI=1S/C14H21N3O3/c1-8-11(17-12(18)9-6-15-16-7-9)5-4-10(13(19)20)14(8,2)3/h6-8,10-11H,4-5H2,1-3H3,(H,15,16)(H,17,18)(H,19,20)
InChIKeyWYCSJKICYNDBHI-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.66
Rot. Bonds3

About 2,2,3-trimethyl-4-(1H-pyrazole-4-carbonylamino)cyclohexane-1-carboxylic acid

2,2,3-trimethyl-4-(1H-pyrazole-4-carbonylamino)cyclohexane-1-carboxylic acid (PubChem CID 102627574) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2,2,3-trimethyl-4-(1H-pyrazole-4-carbonylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2,2,3-trimethyl-4-(1H-pyrazole-4-carbonylamino)cyclohexane-1-carboxylic acid
PubChem CID102627574
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2,2,3-trimethyl-4-(1H-pyrazole-4-carbonylamino)cyclohexane-1-carboxylic acid
SMILESCC1C(NC(=O)c2cn[nH]c2)CCC(C(=O)O)C1(C)C
InChIInChI=1S/C14H21N3O3/c1-8-11(17-12(18)9-6-15-16-7-9)5-4-10(13(19)20)14(8,2)3/h6-8,10-11H,4-5H2,1-3H3,(H,15,16)(H,17,18)(H,19,20)
InChIKeyWYCSJKICYNDBHI-UHFFFAOYSA-N
XLogP1.66
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2,2,3-trimethyl-4-(1H-pyrazole-4-carbonylamino)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

2,2,3-trimethyl-4-[(1-methylimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 107971728
2,2,3-trimethyl-4-(pyrazin-2-ylamino)cyclohexane-1-carboxylic acid
CID 102628098
2,2,3-trimethyl-4-(2-methylpropanoylamino)cyclohexane-1-carboxylic acid
CID 102627481
4-(but-2-ynoylamino)-2,2,3-trimethylcyclohexane-1-carboxylic acid
CID 107987004
N-(4-chlorooxolan-3-yl)-1H-pyrazole-4-carboxamide
CID 130751470
N-(4-methoxypyrrolidin-3-yl)-1H-pyrazole-4-carboxamide
CID 74883497
2,2,3-trimethyl-4-[(1-methylimidazol-2-yl)amino]cyclohexane-1-carboxylic acid
CID 102628071
N-cyclohexyl-1H-pyrazole-4-carboxamide
CID 43532859
2,2,3-trimethyl-4-[3-(methylamino)propanoylamino]cyclohexane-1-carboxylic acid
CID 102629383
N-(2-cyclopropyloxolan-3-yl)-1H-pyrazole-4-carboxamide
CID 103865039
2,2,3-trimethyl-4-(1,3-thiazol-5-ylmethylamino)cyclohexane-1-carboxylic acid
CID 102630756
4-(cyclobutylamino)-2,2,3-trimethylcyclohexane-1-carboxylic acid
CID 102631049

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-4-(1H-pyrazole-4-carbonylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 2,2,3-trimethyl-4-(1H-pyrazole-4-carbonylamino)cyclohexane-1-carboxylic acid (CID 102627574) is 2,2,3-trimethyl-4-(1H-pyrazole-4-carbonylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2,2,3-trimethyl-4-(1H-pyrazole-4-carbonylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2,2,3-trimethyl-4-(1H-pyrazole-4-carbonylamino)cyclohexane-1-carboxylic acid is CC1C(NC(=O)c2cn[nH]c2)CCC(C(=O)O)C1(C)C.
What is the InChIKey of 2,2,3-trimethyl-4-(1H-pyrazole-4-carbonylamino)cyclohexane-1-carboxylic acid?
The InChIKey is WYCSJKICYNDBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-8-11(17-12(18)9-6-15-16-7-9)5-4-10(13(19)20)14(8,2)3/h6-8,10-11H,4-5H2,1-3H3,(H,15,16)(H,17,18)(H,19,20).
What are the key properties of 2,2,3-trimethyl-4-(1H-pyrazole-4-carbonylamino)cyclohexane-1-carboxylic acid?
2,2,3-trimethyl-4-(1H-pyrazole-4-carbonylamino)cyclohexane-1-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 1.66, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-4-(1H-pyrazole-4-carbonylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 102627574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).