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

C20H25N3O3 — CID 120544055

IUPAC1-[[[5-methyl-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESCc1ccccc1-n1ncc(C(=O)NCC2(C(=O)O)CCCCC2)c1C
InChIInChI=1S/C20H25N3O3/c1-14-8-4-5-9-17(14)23-15(2)16(12-22-23)18(24)21-13-20(19(25)26)10-6-3-7-11-20/h4-5,8-9,12H,3,6-7,10-11,13H2,1-2H3,(H,21,24)(H,25,26)
InChIKeyYVTCLRAEAJGSNX-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.25
Rot. Bonds5

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

1-[[[5-methyl-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 120544055) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-[[[5-methyl-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[[5-methyl-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID120544055
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name1-[[[5-methyl-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESCc1ccccc1-n1ncc(C(=O)NCC2(C(=O)O)CCCCC2)c1C
InChIInChI=1S/C20H25N3O3/c1-14-8-4-5-9-17(14)23-15(2)16(12-22-23)18(24)21-13-20(19(25)26)10-6-3-7-11-20/h4-5,8-9,12H,3,6-7,10-11,13H2,1-2H3,(H,21,24)(H,25,26)
InChIKeyYVTCLRAEAJGSNX-UHFFFAOYSA-N
XLogP3.25
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

5-methyl-1-(2-methylphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]pyrazole-4-carboxamide
CID 126775757
N-(2-aminoethyl)-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide;hydrochloride
CID 119382600
5-methyl-1-(2-methylphenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
CID 42818052
5-methyl-1-(2-methylphenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119510623
1-(2-fluorophenyl)-5-methyl-N-[(1-phenylcyclopropyl)methyl]pyrazole-4-carboxamide
CID 134026765
N-[2-(ethylamino)ethyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide;hydrochloride
CID 119505425
1-[(pyrazolo[1,5-a]pyridine-3-carbonylamino)methyl]cyclopentane-1-carboxylic acid
CID 103791309
1-[[(5-methyl-1-phenyltriazole-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120544247
4-[[[1-(4-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120542330
4-[[[1-(3-chlorophenyl)-5-methylpyrazole-4-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120542116
1-[[(3-methyl-1-phenylpyrazole-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120544806
1-[[(5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]cycloheptane-1-carboxylic acid
CID 115443407

Frequently Asked Questions

What is the IUPAC name of 1-[[[5-methyl-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[[5-methyl-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid (CID 120544055) is 1-[[[5-methyl-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[[5-methyl-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[[5-methyl-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid is Cc1ccccc1-n1ncc(C(=O)NCC2(C(=O)O)CCCCC2)c1C.
What is the InChIKey of 1-[[[5-methyl-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is YVTCLRAEAJGSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-14-8-4-5-9-17(14)23-15(2)16(12-22-23)18(24)21-13-20(19(25)26)10-6-3-7-11-20/h4-5,8-9,12H,3,6-7,10-11,13H2,1-2H3,(H,21,24)(H,25,26).
What are the key properties of 1-[[[5-methyl-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid?
1-[[[5-methyl-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 355.44 g/mol, XLogP of 3.25, 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-methylphenyl)pyrazole-4-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120544055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).