1-benzyl-5-ethyl-N-(2-phenoxyethyl)pyrazole-4-carboxamide

C21H23N3O2 — CID 78873047

IUPAC1-benzyl-5-ethyl-N-(2-phenoxyethyl)pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCCOc2ccccc2)cnn1Cc1ccccc1
InChIInChI=1S/C21H23N3O2/c1-2-20-19(15-23-24(20)16-17-9-5-3-6-10-17)21(25)22-13-14-26-18-11-7-4-8-12-18/h3-12,15H,2,13-14,16H2,1H3,(H,22,25)
InChIKeyOQDDADKWFOXMBO-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.30
Rot. Bonds8

About 1-benzyl-5-ethyl-N-(2-phenoxyethyl)pyrazole-4-carboxamide

1-benzyl-5-ethyl-N-(2-phenoxyethyl)pyrazole-4-carboxamide (PubChem CID 78873047) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 1-benzyl-5-ethyl-N-(2-phenoxyethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-5-ethyl-N-(2-phenoxyethyl)pyrazole-4-carboxamide
PubChem CID78873047
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name1-benzyl-5-ethyl-N-(2-phenoxyethyl)pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCCOc2ccccc2)cnn1Cc1ccccc1
InChIInChI=1S/C21H23N3O2/c1-2-20-19(15-23-24(20)16-17-9-5-3-6-10-17)21(25)22-13-14-26-18-11-7-4-8-12-18/h3-12,15H,2,13-14,16H2,1H3,(H,22,25)
InChIKeyOQDDADKWFOXMBO-UHFFFAOYSA-N
XLogP3.30
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-N-(3-ethoxypropyl)-5-ethylpyrazole-4-carboxamide
CID 78872514
1-benzyl-5-ethyl-N-prop-2-ynylpyrazole-4-carboxamide
CID 78873764
1-benzyl-N-[2-(2,6-difluorophenyl)ethyl]-5-ethylpyrazole-4-carboxamide
CID 78892567
1-benzyl-5-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrazole-4-carboxamide
CID 78874296
1-benzyl-5-ethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrazole-4-carboxamide
CID 78902129
1-benzyl-5-ethyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]pyrazole-4-carbohydrazide
CID 78872608
1-benzyl-5-ethyl-N-[3-(oxolan-2-ylmethoxy)propyl]pyrazole-4-carboxamide
CID 78872899
1-benzyl-N-[[4-(ethoxymethyl)phenyl]methyl]-5-ethylpyrazole-4-carboxamide
CID 78872826
1-benzyl-N'-[2-(3,4-dimethylphenoxy)acetyl]-5-ethylpyrazole-4-carbohydrazide
CID 78872517
1-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-5-ethylpyrazole-4-carboxamide
CID 78874236
methyl N-[4-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]phenyl]carbamate
CID 78890376
1-benzyl-5-ethyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 78873007

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-ethyl-N-(2-phenoxyethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-5-ethyl-N-(2-phenoxyethyl)pyrazole-4-carboxamide (CID 78873047) is 1-benzyl-5-ethyl-N-(2-phenoxyethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-5-ethyl-N-(2-phenoxyethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-5-ethyl-N-(2-phenoxyethyl)pyrazole-4-carboxamide is CCc1c(C(=O)NCCOc2ccccc2)cnn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-ethyl-N-(2-phenoxyethyl)pyrazole-4-carboxamide?
The InChIKey is OQDDADKWFOXMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-2-20-19(15-23-24(20)16-17-9-5-3-6-10-17)21(25)22-13-14-26-18-11-7-4-8-12-18/h3-12,15H,2,13-14,16H2,1H3,(H,22,25).
What are the key properties of 1-benzyl-5-ethyl-N-(2-phenoxyethyl)pyrazole-4-carboxamide?
1-benzyl-5-ethyl-N-(2-phenoxyethyl)pyrazole-4-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-ethyl-N-(2-phenoxyethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 78873047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).