1-cyclopropyl-N-(1-oxo-2,3-dihydroinden-4-yl)pyrazole-4-carboxamide

C16H15N3O2 — CID 167794491

IUPAC1-cyclopropyl-N-(1-oxo-2,3-dihydroinden-4-yl)pyrazole-4-carboxamide
SMILESO=C(Nc1cccc2c1CCC2=O)c1cnn(C2CC2)c1
InChIInChI=1S/C16H15N3O2/c20-15-7-6-12-13(15)2-1-3-14(12)18-16(21)10-8-17-19(9-10)11-4-5-11/h1-3,8-9,11H,4-7H2,(H,18,21)
InChIKeySYPLAGWLGJRSKU-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.60
Rot. Bonds3

About 1-cyclopropyl-N-(1-oxo-2,3-dihydroinden-4-yl)pyrazole-4-carboxamide

1-cyclopropyl-N-(1-oxo-2,3-dihydroinden-4-yl)pyrazole-4-carboxamide (PubChem CID 167794491) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 1-cyclopropyl-N-(1-oxo-2,3-dihydroinden-4-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-(1-oxo-2,3-dihydroinden-4-yl)pyrazole-4-carboxamide
PubChem CID167794491
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name1-cyclopropyl-N-(1-oxo-2,3-dihydroinden-4-yl)pyrazole-4-carboxamide
SMILESO=C(Nc1cccc2c1CCC2=O)c1cnn(C2CC2)c1
InChIInChI=1S/C16H15N3O2/c20-15-7-6-12-13(15)2-1-3-14(12)18-16(21)10-8-17-19(9-10)11-4-5-11/h1-3,8-9,11H,4-7H2,(H,18,21)
InChIKeySYPLAGWLGJRSKU-UHFFFAOYSA-N
XLogP2.60
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-cyclopropyl-N-(1-oxo-2,3-dihydroinden-4-yl)pyrazole-4-carboxamide 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 1-cyclopropyl-N-(1-oxo-2,3-dihydroinden-4-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-cyclopropyl-N-(1-oxo-2,3-dihydroinden-4-yl)pyrazole-4-carboxamide (CID 167794491) is 1-cyclopropyl-N-(1-oxo-2,3-dihydroinden-4-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-(1-oxo-2,3-dihydroinden-4-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-(1-oxo-2,3-dihydroinden-4-yl)pyrazole-4-carboxamide is O=C(Nc1cccc2c1CCC2=O)c1cnn(C2CC2)c1.
What is the InChIKey of 1-cyclopropyl-N-(1-oxo-2,3-dihydroinden-4-yl)pyrazole-4-carboxamide?
The InChIKey is SYPLAGWLGJRSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c20-15-7-6-12-13(15)2-1-3-14(12)18-16(21)10-8-17-19(9-10)11-4-5-11/h1-3,8-9,11H,4-7H2,(H,18,21).
What are the key properties of 1-cyclopropyl-N-(1-oxo-2,3-dihydroinden-4-yl)pyrazole-4-carboxamide?
1-cyclopropyl-N-(1-oxo-2,3-dihydroinden-4-yl)pyrazole-4-carboxamide has a molecular weight of 281.31 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(1-oxo-2,3-dihydroinden-4-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 167794491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).