4-(2-aminocyclopropyl)-N-(1H-pyrazol-4-yl)benzamide

C13H14N4O — CID 118304445

IUPAC4-(2-aminocyclopropyl)-N-(1H-pyrazol-4-yl)benzamide
SMILESNC1CC1c1ccc(C(=O)Nc2cn[nH]c2)cc1
InChIInChI=1S/C13H14N4O/c14-12-5-11(12)8-1-3-9(4-2-8)13(18)17-10-6-15-16-7-10/h1-4,6-7,11-12H,5,14H2,(H,15,16)(H,17,18)
InChIKeyOMMPPBRMWQPVED-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.48
Rot. Bonds3

About 4-(2-aminocyclopropyl)-N-(1H-pyrazol-4-yl)benzamide

4-(2-aminocyclopropyl)-N-(1H-pyrazol-4-yl)benzamide (PubChem CID 118304445) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 4-(2-aminocyclopropyl)-N-(1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound Name4-(2-aminocyclopropyl)-N-(1H-pyrazol-4-yl)benzamide
PubChem CID118304445
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name4-(2-aminocyclopropyl)-N-(1H-pyrazol-4-yl)benzamide
SMILESNC1CC1c1ccc(C(=O)Nc2cn[nH]c2)cc1
InChIInChI=1S/C13H14N4O/c14-12-5-11(12)8-1-3-9(4-2-8)13(18)17-10-6-15-16-7-10/h1-4,6-7,11-12H,5,14H2,(H,15,16)(H,17,18)
InChIKeyOMMPPBRMWQPVED-UHFFFAOYSA-N
XLogP1.48
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-(2-aminocyclopropyl)-N-(1H-pyrazol-4-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminocyclopropyl)-N-(1H-pyrazol-4-yl)benzamide?
The IUPAC name of 4-(2-aminocyclopropyl)-N-(1H-pyrazol-4-yl)benzamide (CID 118304445) is 4-(2-aminocyclopropyl)-N-(1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for 4-(2-aminocyclopropyl)-N-(1H-pyrazol-4-yl)benzamide?
The canonical SMILES for 4-(2-aminocyclopropyl)-N-(1H-pyrazol-4-yl)benzamide is NC1CC1c1ccc(C(=O)Nc2cn[nH]c2)cc1.
What is the InChIKey of 4-(2-aminocyclopropyl)-N-(1H-pyrazol-4-yl)benzamide?
The InChIKey is OMMPPBRMWQPVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c14-12-5-11(12)8-1-3-9(4-2-8)13(18)17-10-6-15-16-7-10/h1-4,6-7,11-12H,5,14H2,(H,15,16)(H,17,18).
What are the key properties of 4-(2-aminocyclopropyl)-N-(1H-pyrazol-4-yl)benzamide?
4-(2-aminocyclopropyl)-N-(1H-pyrazol-4-yl)benzamide has a molecular weight of 242.28 g/mol, XLogP of 1.48, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminocyclopropyl)-N-(1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 118304445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).