N-(cyanomethyl)-N,1-dimethyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide

C15H14N4O2 — CID 53015763

IUPACN-(cyanomethyl)-N,1-dimethyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
SMILESCN(CC#N)C(=O)c1nn(C)c2c1COc1ccccc1-2
InChIInChI=1S/C15H14N4O2/c1-18(8-7-16)15(20)13-11-9-21-12-6-4-3-5-10(12)14(11)19(2)17-13/h3-6H,8-9H2,1-2H3
InChIKeyZNMMBHGDWUZLNM-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.58
Rot. Bonds2

About N-(cyanomethyl)-N,1-dimethyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide

N-(cyanomethyl)-N,1-dimethyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide (PubChem CID 53015763) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is N-(cyanomethyl)-N,1-dimethyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(cyanomethyl)-N,1-dimethyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
PubChem CID53015763
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC NameN-(cyanomethyl)-N,1-dimethyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
SMILESCN(CC#N)C(=O)c1nn(C)c2c1COc1ccccc1-2
InChIInChI=1S/C15H14N4O2/c1-18(8-7-16)15(20)13-11-9-21-12-6-4-3-5-10(12)14(11)19(2)17-13/h3-6H,8-9H2,1-2H3
InChIKeyZNMMBHGDWUZLNM-UHFFFAOYSA-N
XLogP1.58
TPSA71.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(cyanomethyl)-N,1-dimethyl-4H-chromeno[3,4-d]pyrazole-3-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 N-(cyanomethyl)-N,1-dimethyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The IUPAC name of N-(cyanomethyl)-N,1-dimethyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide (CID 53015763) is N-(cyanomethyl)-N,1-dimethyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide.
What is the SMILES notation for N-(cyanomethyl)-N,1-dimethyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The canonical SMILES for N-(cyanomethyl)-N,1-dimethyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide is CN(CC#N)C(=O)c1nn(C)c2c1COc1ccccc1-2.
What is the InChIKey of N-(cyanomethyl)-N,1-dimethyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The InChIKey is ZNMMBHGDWUZLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-18(8-7-16)15(20)13-11-9-21-12-6-4-3-5-10(12)14(11)19(2)17-13/h3-6H,8-9H2,1-2H3.
What are the key properties of N-(cyanomethyl)-N,1-dimethyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
N-(cyanomethyl)-N,1-dimethyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide has a molecular weight of 282.30 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-N,1-dimethyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide is sourced from PubChem (CID 53015763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).