1-[(1-methylpyrazol-4-yl)carbamoyl]cyclobutane-1-carboxylic acid

C10H13N3O3 — CID 62096249

IUPAC1-[(1-methylpyrazol-4-yl)carbamoyl]cyclobutane-1-carboxylic acid
SMILESCn1cc(NC(=O)C2(C(=O)O)CCC2)cn1
InChIInChI=1S/C10H13N3O3/c1-13-6-7(5-11-13)12-8(14)10(9(15)16)3-2-4-10/h5-6H,2-4H2,1H3,(H,12,14)(H,15,16)
InChIKeyZJWNRAQRDIUFOX-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.61
Rot. Bonds3

About 1-[(1-methylpyrazol-4-yl)carbamoyl]cyclobutane-1-carboxylic acid

1-[(1-methylpyrazol-4-yl)carbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 62096249) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 1-[(1-methylpyrazol-4-yl)carbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(1-methylpyrazol-4-yl)carbamoyl]cyclobutane-1-carboxylic acid
PubChem CID62096249
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name1-[(1-methylpyrazol-4-yl)carbamoyl]cyclobutane-1-carboxylic acid
SMILESCn1cc(NC(=O)C2(C(=O)O)CCC2)cn1
InChIInChI=1S/C10H13N3O3/c1-13-6-7(5-11-13)12-8(14)10(9(15)16)3-2-4-10/h5-6H,2-4H2,1H3,(H,12,14)(H,15,16)
InChIKeyZJWNRAQRDIUFOX-UHFFFAOYSA-N
XLogP0.61
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 1-[(1-methylpyrazol-4-yl)carbamoyl]cyclobutane-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-amino-N-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 65465915
1-[(1-methylpyrazol-4-yl)carbamoylamino]cycloheptane-1-carboxylic acid
CID 61197194
1-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 43535051
1-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 43535047
1-[(2-methyl-4-pyridinyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 79240228
N-(1-methylpyrazol-4-yl)-2-azaspiro[3.5]nonane-2-carboxamide
CID 127865471
1-cyclobutyl-3-(1-methylpyrazol-4-yl)urea
CID 115617906
1-(pyrimidin-5-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 107589533
N-(1-methylpyrazol-4-yl)-2-piperidin-3-ylacetamide
CID 62675763
1-[(1-ethylpyrazol-4-yl)carbamoylamino]cyclobutane-1-carboxylic acid
CID 81163360
2,3-dimethyl-4-[(1-methylpyrazol-4-yl)amino]-4-oxobut-2-enoic acid
CID 76991406
N-(1-methylpyrazol-4-yl)piperidine-1-carboxamide
CID 115589113

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpyrazol-4-yl)carbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(1-methylpyrazol-4-yl)carbamoyl]cyclobutane-1-carboxylic acid (CID 62096249) is 1-[(1-methylpyrazol-4-yl)carbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(1-methylpyrazol-4-yl)carbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(1-methylpyrazol-4-yl)carbamoyl]cyclobutane-1-carboxylic acid is Cn1cc(NC(=O)C2(C(=O)O)CCC2)cn1.
What is the InChIKey of 1-[(1-methylpyrazol-4-yl)carbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is ZJWNRAQRDIUFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-13-6-7(5-11-13)12-8(14)10(9(15)16)3-2-4-10/h5-6H,2-4H2,1H3,(H,12,14)(H,15,16).
What are the key properties of 1-[(1-methylpyrazol-4-yl)carbamoyl]cyclobutane-1-carboxylic acid?
1-[(1-methylpyrazol-4-yl)carbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 223.23 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpyrazol-4-yl)carbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 62096249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).