4-methyl-2-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid

C14H21N3O3 — CID 106104133

IUPAC4-methyl-2-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESCC1CC(C(=O)O)C(C(=O)NCCc2ccn(C)n2)C1
InChIInChI=1S/C14H21N3O3/c1-9-7-11(12(8-9)14(19)20)13(18)15-5-3-10-4-6-17(2)16-10/h4,6,9,11-12H,3,5,7-8H2,1-2H3,(H,15,18)(H,19,20)
InChIKeyBHWHRJAMXOWQFF-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.83
Rot. Bonds5

About 4-methyl-2-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid

4-methyl-2-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 106104133) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-methyl-2-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
PubChem CID106104133
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name4-methyl-2-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESCC1CC(C(=O)O)C(C(=O)NCCc2ccn(C)n2)C1
InChIInChI=1S/C14H21N3O3/c1-9-7-11(12(8-9)14(19)20)13(18)15-5-3-10-4-6-17(2)16-10/h4,6,9,11-12H,3,5,7-8H2,1-2H3,(H,15,18)(H,19,20)
InChIKeyBHWHRJAMXOWQFF-UHFFFAOYSA-N
XLogP0.83
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-methyl-2-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]cyclopentane-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

(1S,6R)-6-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 106104130
cis-(1S,2R)-2-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 106104131
4-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]oxolane-3-carboxamide
CID 106105001
3-[2-(1-methylpyrazol-3-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 106105963
1-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 106106000
4-(aminomethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 106104900
5-[2-(1-methylpyrazol-3-yl)ethylamino]-5-oxopentanoic acid
CID 104630849
2-[2-(1-methylpyrazol-3-yl)ethylamino]acetic acid
CID 106104698
3-[tert-butyl-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]amino]propanoic acid
CID 106106032
1-amino-3-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 106105095
2-chloro-N-[2-(1-methylpyrazol-3-yl)ethyl]propanamide
CID 106104407
2-[2-(1-methylpyrazol-3-yl)ethylcarbamoylamino]propanoic acid
CID 106106029

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 4-methyl-2-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid (CID 106104133) is 4-methyl-2-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 4-methyl-2-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 4-methyl-2-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid is CC1CC(C(=O)O)C(C(=O)NCCc2ccn(C)n2)C1.
What is the InChIKey of 4-methyl-2-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is BHWHRJAMXOWQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-9-7-11(12(8-9)14(19)20)13(18)15-5-3-10-4-6-17(2)16-10/h4,6,9,11-12H,3,5,7-8H2,1-2H3,(H,15,18)(H,19,20).
What are the key properties of 4-methyl-2-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid?
4-methyl-2-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106104133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).