5-amino-N-[1-(2-methoxyethyl)pyrazol-3-yl]-2-methylbenzamide

C14H18N4O2 — CID 120630096

IUPAC5-amino-N-[1-(2-methoxyethyl)pyrazol-3-yl]-2-methylbenzamide
SMILESCOCCn1ccc(NC(=O)c2cc(N)ccc2C)n1
InChIInChI=1S/C14H18N4O2/c1-10-3-4-11(15)9-12(10)14(19)16-13-5-6-18(17-13)7-8-20-2/h3-6,9H,7-8,15H2,1-2H3,(H,16,17,19)
InChIKeyVAMJZJAQLUUITM-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.67
Rot. Bonds5

About 5-amino-N-[1-(2-methoxyethyl)pyrazol-3-yl]-2-methylbenzamide

5-amino-N-[1-(2-methoxyethyl)pyrazol-3-yl]-2-methylbenzamide (PubChem CID 120630096) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 5-amino-N-[1-(2-methoxyethyl)pyrazol-3-yl]-2-methylbenzamide.

Molecular Properties

Compound Name5-amino-N-[1-(2-methoxyethyl)pyrazol-3-yl]-2-methylbenzamide
PubChem CID120630096
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name5-amino-N-[1-(2-methoxyethyl)pyrazol-3-yl]-2-methylbenzamide
SMILESCOCCn1ccc(NC(=O)c2cc(N)ccc2C)n1
InChIInChI=1S/C14H18N4O2/c1-10-3-4-11(15)9-12(10)14(19)16-13-5-6-18(17-13)7-8-20-2/h3-6,9H,7-8,15H2,1-2H3,(H,16,17,19)
InChIKeyVAMJZJAQLUUITM-UHFFFAOYSA-N
XLogP1.67
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-amino-N-[1-(2-methoxyethyl)pyrazol-3-yl]-2-methylbenzamide 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

N-[1-(2-methoxyethyl)pyrazol-3-yl]acetamide
CID 118519251
N-[1-(2-methoxyethyl)pyrazol-3-yl]-2-(methylamino)acetamide
CID 119767695
5-amino-2-methoxy-N-(1-methylpyrazol-3-yl)benzamide
CID 61104250
7-amino-N-[1-(2-methoxyethyl)pyrazol-3-yl]heptanamide;hydrochloride
CID 119767680
1-[1-(2-methoxyethyl)pyrazol-3-yl]-3-(5-methyl-3-pyridinyl)urea
CID 86803950
2-amino-N-[1-(2-methoxyethyl)pyrazol-3-yl]pentanamide;hydrochloride
CID 119314328
3-amino-N-[1-(2-methoxyethyl)pyrazol-3-yl]-3-phenylpropanamide;hydrochloride
CID 119951054
2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]benzamide
CID 119946927
5-amino-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 55260016
5-amino-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 82882259
5-amino-N-[4-(2-methoxyethoxy)-2-methylphenyl]-2-methylbenzamide;hydrochloride
CID 120622397
2-(1-hydroxycyclopentyl)-N-[1-(2-methoxyethyl)pyrazol-3-yl]acetamide
CID 111432629

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[1-(2-methoxyethyl)pyrazol-3-yl]-2-methylbenzamide?
The IUPAC name of 5-amino-N-[1-(2-methoxyethyl)pyrazol-3-yl]-2-methylbenzamide (CID 120630096) is 5-amino-N-[1-(2-methoxyethyl)pyrazol-3-yl]-2-methylbenzamide.
What is the SMILES notation for 5-amino-N-[1-(2-methoxyethyl)pyrazol-3-yl]-2-methylbenzamide?
The canonical SMILES for 5-amino-N-[1-(2-methoxyethyl)pyrazol-3-yl]-2-methylbenzamide is COCCn1ccc(NC(=O)c2cc(N)ccc2C)n1.
What is the InChIKey of 5-amino-N-[1-(2-methoxyethyl)pyrazol-3-yl]-2-methylbenzamide?
The InChIKey is VAMJZJAQLUUITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-10-3-4-11(15)9-12(10)14(19)16-13-5-6-18(17-13)7-8-20-2/h3-6,9H,7-8,15H2,1-2H3,(H,16,17,19).
What are the key properties of 5-amino-N-[1-(2-methoxyethyl)pyrazol-3-yl]-2-methylbenzamide?
5-amino-N-[1-(2-methoxyethyl)pyrazol-3-yl]-2-methylbenzamide has a molecular weight of 274.32 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[1-(2-methoxyethyl)pyrazol-3-yl]-2-methylbenzamide is sourced from PubChem (CID 120630096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).