1-methyl-N-propyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide

C15H17N3O2 — CID 53015663

IUPAC1-methyl-N-propyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
SMILESCCCNC(=O)c1nn(C)c2c1COc1ccccc1-2
InChIInChI=1S/C15H17N3O2/c1-3-8-16-15(19)13-11-9-20-12-7-5-4-6-10(12)14(11)18(2)17-13/h4-7H,3,8-9H2,1-2H3,(H,16,19)
InChIKeyXZLGJBYKOQJNGL-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.12
Rot. Bonds3

About 1-methyl-N-propyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide

1-methyl-N-propyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide (PubChem CID 53015663) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-methyl-N-propyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-propyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
PubChem CID53015663
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name1-methyl-N-propyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
SMILESCCCNC(=O)c1nn(C)c2c1COc1ccccc1-2
InChIInChI=1S/C15H17N3O2/c1-3-8-16-15(19)13-11-9-20-12-7-5-4-6-10(12)14(11)18(2)17-13/h4-7H,3,8-9H2,1-2H3,(H,16,19)
InChIKeyXZLGJBYKOQJNGL-UHFFFAOYSA-N
XLogP2.12
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methyl-N-propyl-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 1-methyl-N-propyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The IUPAC name of 1-methyl-N-propyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide (CID 53015663) is 1-methyl-N-propyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-propyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-propyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide is CCCNC(=O)c1nn(C)c2c1COc1ccccc1-2.
What is the InChIKey of 1-methyl-N-propyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The InChIKey is XZLGJBYKOQJNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-3-8-16-15(19)13-11-9-20-12-7-5-4-6-10(12)14(11)18(2)17-13/h4-7H,3,8-9H2,1-2H3,(H,16,19).
What are the key properties of 1-methyl-N-propyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
1-methyl-N-propyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-propyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide is sourced from PubChem (CID 53015663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).