5-cyclohexyl-4-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]pentanoic acid

C19H31N3O3 — CID 122056821

IUPAC5-cyclohexyl-4-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]pentanoic acid
SMILESCC(C)c1cc(C(=O)NC(CCC(=O)O)CC2CCCCC2)nn1C
InChIInChI=1S/C19H31N3O3/c1-13(2)17-12-16(21-22(17)3)19(25)20-15(9-10-18(23)24)11-14-7-5-4-6-8-14/h12-15H,4-11H2,1-3H3,(H,20,25)(H,23,24)
InChIKeyDFKDECOYMHUUIN-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.48
Rot. Bonds8

About 5-cyclohexyl-4-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]pentanoic acid

5-cyclohexyl-4-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]pentanoic acid (PubChem CID 122056821) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is 5-cyclohexyl-4-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name5-cyclohexyl-4-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]pentanoic acid
PubChem CID122056821
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC Name5-cyclohexyl-4-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]pentanoic acid
SMILESCC(C)c1cc(C(=O)NC(CCC(=O)O)CC2CCCCC2)nn1C
InChIInChI=1S/C19H31N3O3/c1-13(2)17-12-16(21-22(17)3)19(25)20-15(9-10-18(23)24)11-14-7-5-4-6-8-14/h12-15H,4-11H2,1-3H3,(H,20,25)(H,23,24)
InChIKeyDFKDECOYMHUUIN-UHFFFAOYSA-N
XLogP3.48
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-cyclohexyl-4-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]pentanoic 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

4-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]-5-phenylpentanoic acid
CID 120546823
2-cyclopropyl-2-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]acetic acid
CID 119213991
5-cyclohexyl-4-(2-methylsulfonylpropanoylamino)pentanoic acid
CID 122056687
5-cyclohexyl-4-[(6-methylpyridine-3-carbonyl)amino]pentanoic acid
CID 122056442
5-cyclohexyl-4-[(1-methyl-2-oxoquinoline-4-carbonyl)amino]pentanoic acid
CID 122056451
4-[(4-carbamoylbenzoyl)amino]-5-cyclohexylpentanoic acid
CID 122056610
5-cyclohexyl-4-[3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoylamino]pentanoic acid
CID 122056753
5-cyclohexyl-4-[[2-methyl-4-(1,2,4-triazol-1-yl)benzoyl]amino]pentanoic acid
CID 122056814
5-cyclohexyl-4-[[3-(dimethylcarbamoyl)benzoyl]amino]pentanoic acid
CID 122056899
1-methyl-N-(2-piperidin-3-ylethyl)-5-propan-2-ylpyrazole-3-carboxamide;hydrochloride
CID 119556680
5-cyclohexyl-4-[(5-methylsulfanylfuran-2-carbonyl)amino]pentanoic acid
CID 122056780
5-cyclohexyl-4-(pentanoylamino)pentanoic acid
CID 122056434

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-4-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]pentanoic acid?
The IUPAC name of 5-cyclohexyl-4-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]pentanoic acid (CID 122056821) is 5-cyclohexyl-4-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 5-cyclohexyl-4-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]pentanoic acid?
The canonical SMILES for 5-cyclohexyl-4-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]pentanoic acid is CC(C)c1cc(C(=O)NC(CCC(=O)O)CC2CCCCC2)nn1C.
What is the InChIKey of 5-cyclohexyl-4-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]pentanoic acid?
The InChIKey is DFKDECOYMHUUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3/c1-13(2)17-12-16(21-22(17)3)19(25)20-15(9-10-18(23)24)11-14-7-5-4-6-8-14/h12-15H,4-11H2,1-3H3,(H,20,25)(H,23,24).
What are the key properties of 5-cyclohexyl-4-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]pentanoic acid?
5-cyclohexyl-4-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]pentanoic acid has a molecular weight of 349.48 g/mol, XLogP of 3.48, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-4-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 122056821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).