1-[[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid

C16H25N3O3 — CID 120512739

IUPAC1-[[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESCc1c(C(=O)NC2(C(=O)O)CCCCC2)cnn1CC(C)C
InChIInChI=1S/C16H25N3O3/c1-11(2)10-19-12(3)13(9-17-19)14(20)18-16(15(21)22)7-5-4-6-8-16/h9,11H,4-8,10H2,1-3H3,(H,18,20)(H,21,22)
InChIKeyHGOPTWQWHCZFJA-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.36
Rot. Bonds5

About 1-[[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid

1-[[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 120512739) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 1-[[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid
PubChem CID120512739
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name1-[[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESCc1c(C(=O)NC2(C(=O)O)CCCCC2)cnn1CC(C)C
InChIInChI=1S/C16H25N3O3/c1-11(2)10-19-12(3)13(9-17-19)14(20)18-16(15(21)22)7-5-4-6-8-16/h9,11H,4-8,10H2,1-3H3,(H,18,20)(H,21,22)
InChIKeyHGOPTWQWHCZFJA-UHFFFAOYSA-N
XLogP2.36
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]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

1-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120515128
3-ethoxy-2,2-dimethyl-1-[[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]cyclobutane-1-carboxylic acid
CID 120700193
1-[[5-methyl-1-(oxan-4-yl)pyrazole-4-carbonyl]amino]cycloheptane-1-carboxylic acid
CID 120538619
3-ethyl-3-[[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]pentanoic acid
CID 120532558
4-[(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]thiane-4-carboxylic acid
CID 120531216
1-[(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119132499
2-methyl-4-[[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]benzoic acid
CID 120526226
2-[[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]-2-phenylacetic acid
CID 120518043
1-[[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120545060
1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonylamino)cyclohexane-1-carboxylic acid
CID 120512689
N-(1-carbamothioylcyclopentyl)-1,5-dimethylpyrazole-4-carboxamide
CID 61120127
5-methyl-1-(2-methylpropyl)-N-(4-phenyl-3-pyridinyl)pyrazole-4-carboxamide
CID 122143589

Frequently Asked Questions

What is the IUPAC name of 1-[[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid (CID 120512739) is 1-[[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid is Cc1c(C(=O)NC2(C(=O)O)CCCCC2)cnn1CC(C)C.
What is the InChIKey of 1-[[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is HGOPTWQWHCZFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-11(2)10-19-12(3)13(9-17-19)14(20)18-16(15(21)22)7-5-4-6-8-16/h9,11H,4-8,10H2,1-3H3,(H,18,20)(H,21,22).
What are the key properties of 1-[[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid?
1-[[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 307.39 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120512739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).