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

C22H23N3O2 — CID 138992571

IUPAC1-benzyl-N-(8-ethyl-3,4-dihydro-2H-chromen-4-yl)pyrazole-4-carboxamide
SMILESCCc1cccc2c1OCCC2NC(=O)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C22H23N3O2/c1-2-17-9-6-10-19-20(11-12-27-21(17)19)24-22(26)18-13-23-25(15-18)14-16-7-4-3-5-8-16/h3-10,13,15,20H,2,11-12,14H2,1H3,(H,24,26)
InChIKeyZWDJUNAMJYRINT-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.75
Rot. Bonds5

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

1-benzyl-N-(8-ethyl-3,4-dihydro-2H-chromen-4-yl)pyrazole-4-carboxamide (PubChem CID 138992571) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 1-benzyl-N-(8-ethyl-3,4-dihydro-2H-chromen-4-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(8-ethyl-3,4-dihydro-2H-chromen-4-yl)pyrazole-4-carboxamide
PubChem CID138992571
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name1-benzyl-N-(8-ethyl-3,4-dihydro-2H-chromen-4-yl)pyrazole-4-carboxamide
SMILESCCc1cccc2c1OCCC2NC(=O)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C22H23N3O2/c1-2-17-9-6-10-19-20(11-12-27-21(17)19)24-22(26)18-13-23-25(15-18)14-16-7-4-3-5-8-16/h3-10,13,15,20H,2,11-12,14H2,1H3,(H,24,26)
InChIKeyZWDJUNAMJYRINT-UHFFFAOYSA-N
XLogP3.75
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-tert-butyl-N-(8-ethyl-3,4-dihydro-2H-chromen-4-yl)pyrazole-4-carboxamide
CID 146121951
1-[(2-chlorophenyl)methyl]-N-(3,4-dihydro-2H-chromen-4-yl)pyrazole-4-carboxamide
CID 18132090
1-benzyl-N-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)pyrazole-4-carboxamide
CID 138994345
1-benzyl-N-cyclohexylpyrazole-4-carboxamide
CID 40710526
1-benzyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 86997426
1-benzyl-N-(3,4-dihydro-2H-chromen-4-yl)-5-ethylpyrazole-4-carboxamide
CID 78872570
3-[(1-benzylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 75498105
1-benzyl-N-[(4S)-8-chloro-3,4-dihydro-2H-chromen-4-yl]piperidine-4-carboxamide
CID 95279883
1-benzylpyrazole-4-carbohydrazide
CID 83386286
1-benzyl-N-[(3S)-1,1-dioxothiolan-3-yl]pyrazole-4-carboxamide
CID 27710840
1-benzyl-N-(2-methylpiperidin-3-yl)pyrazole-4-carboxamide;hydrochloride
CID 120574286
1-benzyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrazole-4-carboxamide
CID 111696717

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(8-ethyl-3,4-dihydro-2H-chromen-4-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-(8-ethyl-3,4-dihydro-2H-chromen-4-yl)pyrazole-4-carboxamide (CID 138992571) is 1-benzyl-N-(8-ethyl-3,4-dihydro-2H-chromen-4-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-(8-ethyl-3,4-dihydro-2H-chromen-4-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-(8-ethyl-3,4-dihydro-2H-chromen-4-yl)pyrazole-4-carboxamide is CCc1cccc2c1OCCC2NC(=O)c1cnn(Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-N-(8-ethyl-3,4-dihydro-2H-chromen-4-yl)pyrazole-4-carboxamide?
The InChIKey is ZWDJUNAMJYRINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-2-17-9-6-10-19-20(11-12-27-21(17)19)24-22(26)18-13-23-25(15-18)14-16-7-4-3-5-8-16/h3-10,13,15,20H,2,11-12,14H2,1H3,(H,24,26).
What are the key properties of 1-benzyl-N-(8-ethyl-3,4-dihydro-2H-chromen-4-yl)pyrazole-4-carboxamide?
1-benzyl-N-(8-ethyl-3,4-dihydro-2H-chromen-4-yl)pyrazole-4-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(8-ethyl-3,4-dihydro-2H-chromen-4-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 138992571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).