1-methyl-N-prop-2-enyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide

C15H15N3O2 — CID 53015660

IUPAC1-methyl-N-prop-2-enyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
SMILESC=CCNC(=O)c1nn(C)c2c1COc1ccccc1-2
InChIInChI=1S/C15H15N3O2/c1-3-8-16-15(19)13-11-9-20-12-7-5-4-6-10(12)14(11)18(2)17-13/h3-7H,1,8-9H2,2H3,(H,16,19)
InChIKeyLEXVCMGZXQDZED-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.90
Rot. Bonds3

About 1-methyl-N-prop-2-enyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide

1-methyl-N-prop-2-enyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide (PubChem CID 53015660) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 1-methyl-N-prop-2-enyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-prop-2-enyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
PubChem CID53015660
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name1-methyl-N-prop-2-enyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
SMILESC=CCNC(=O)c1nn(C)c2c1COc1ccccc1-2
InChIInChI=1S/C15H15N3O2/c1-3-8-16-15(19)13-11-9-20-12-7-5-4-6-10(12)14(11)18(2)17-13/h3-7H,1,8-9H2,2H3,(H,16,19)
InChIKeyLEXVCMGZXQDZED-UHFFFAOYSA-N
XLogP1.90
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-prop-2-enyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The IUPAC name of 1-methyl-N-prop-2-enyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide (CID 53015660) is 1-methyl-N-prop-2-enyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-prop-2-enyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-prop-2-enyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide is C=CCNC(=O)c1nn(C)c2c1COc1ccccc1-2.
What is the InChIKey of 1-methyl-N-prop-2-enyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The InChIKey is LEXVCMGZXQDZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-3-8-16-15(19)13-11-9-20-12-7-5-4-6-10(12)14(11)18(2)17-13/h3-7H,1,8-9H2,2H3,(H,16,19).
What are the key properties of 1-methyl-N-prop-2-enyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
1-methyl-N-prop-2-enyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide has a molecular weight of 269.30 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-prop-2-enyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide is sourced from PubChem (CID 53015660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).