1-tert-butyl-N-(8-ethyl-3,4-dihydro-2H-chromen-4-yl)pyrazole-4-carboxamide

C19H25N3O2 — CID 146121951

IUPAC1-tert-butyl-N-(8-ethyl-3,4-dihydro-2H-chromen-4-yl)pyrazole-4-carboxamide
SMILESCCc1cccc2c1OCCC2NC(=O)c1cnn(C(C)(C)C)c1
InChIInChI=1S/C19H25N3O2/c1-5-13-7-6-8-15-16(9-10-24-17(13)15)21-18(23)14-11-20-22(12-14)19(2,3)4/h6-8,11-12,16H,5,9-10H2,1-4H3,(H,21,23)
InChIKeyURPYYDUUHJHWGE-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.45
Rot. Bonds3

About 1-tert-butyl-N-(8-ethyl-3,4-dihydro-2H-chromen-4-yl)pyrazole-4-carboxamide

1-tert-butyl-N-(8-ethyl-3,4-dihydro-2H-chromen-4-yl)pyrazole-4-carboxamide (PubChem CID 146121951) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-tert-butyl-N-(8-ethyl-3,4-dihydro-2H-chromen-4-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-N-(8-ethyl-3,4-dihydro-2H-chromen-4-yl)pyrazole-4-carboxamide
PubChem CID146121951
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name1-tert-butyl-N-(8-ethyl-3,4-dihydro-2H-chromen-4-yl)pyrazole-4-carboxamide
SMILESCCc1cccc2c1OCCC2NC(=O)c1cnn(C(C)(C)C)c1
InChIInChI=1S/C19H25N3O2/c1-5-13-7-6-8-15-16(9-10-24-17(13)15)21-18(23)14-11-20-22(12-14)19(2,3)4/h6-8,11-12,16H,5,9-10H2,1-4H3,(H,21,23)
InChIKeyURPYYDUUHJHWGE-UHFFFAOYSA-N
XLogP3.45
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-tert-butyl-N-(8-ethyl-3,4-dihydro-2H-chromen-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-tert-butyl-N-(8-ethyl-3,4-dihydro-2H-chromen-4-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-tert-butyl-N-(8-ethyl-3,4-dihydro-2H-chromen-4-yl)pyrazole-4-carboxamide (CID 146121951) is 1-tert-butyl-N-(8-ethyl-3,4-dihydro-2H-chromen-4-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-tert-butyl-N-(8-ethyl-3,4-dihydro-2H-chromen-4-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-tert-butyl-N-(8-ethyl-3,4-dihydro-2H-chromen-4-yl)pyrazole-4-carboxamide is CCc1cccc2c1OCCC2NC(=O)c1cnn(C(C)(C)C)c1.
What is the InChIKey of 1-tert-butyl-N-(8-ethyl-3,4-dihydro-2H-chromen-4-yl)pyrazole-4-carboxamide?
The InChIKey is URPYYDUUHJHWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-5-13-7-6-8-15-16(9-10-24-17(13)15)21-18(23)14-11-20-22(12-14)19(2,3)4/h6-8,11-12,16H,5,9-10H2,1-4H3,(H,21,23).
What are the key properties of 1-tert-butyl-N-(8-ethyl-3,4-dihydro-2H-chromen-4-yl)pyrazole-4-carboxamide?
1-tert-butyl-N-(8-ethyl-3,4-dihydro-2H-chromen-4-yl)pyrazole-4-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-(8-ethyl-3,4-dihydro-2H-chromen-4-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 146121951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).