4-chloro-N-[(3,4-diethoxyphenyl)methyl]-1-ethylpyrazole-3-carboxamide

C17H22ClN3O3 — CID 19263382

IUPAC4-chloro-N-[(3,4-diethoxyphenyl)methyl]-1-ethylpyrazole-3-carboxamide
SMILESCCOc1ccc(CNC(=O)c2nn(CC)cc2Cl)cc1OCC
InChIInChI=1S/C17H22ClN3O3/c1-4-21-11-13(18)16(20-21)17(22)19-10-12-7-8-14(23-5-2)15(9-12)24-6-3/h7-9,11H,4-6,10H2,1-3H3,(H,19,22)
InChIKeyVVHCOVJQROLOER-UHFFFAOYSA-N
MW351.83 g/mol
LogP3.28
Rot. Bonds8

About 4-chloro-N-[(3,4-diethoxyphenyl)methyl]-1-ethylpyrazole-3-carboxamide

4-chloro-N-[(3,4-diethoxyphenyl)methyl]-1-ethylpyrazole-3-carboxamide (PubChem CID 19263382) has the molecular formula C17H22ClN3O3 and a molecular weight of 351.83 g/mol. Its IUPAC name is 4-chloro-N-[(3,4-diethoxyphenyl)methyl]-1-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(3,4-diethoxyphenyl)methyl]-1-ethylpyrazole-3-carboxamide
PubChem CID19263382
Molecular FormulaC17H22ClN3O3
Molecular Weight351.83 g/mol
Exact Mass351.13
IUPAC Name4-chloro-N-[(3,4-diethoxyphenyl)methyl]-1-ethylpyrazole-3-carboxamide
SMILESCCOc1ccc(CNC(=O)c2nn(CC)cc2Cl)cc1OCC
InChIInChI=1S/C17H22ClN3O3/c1-4-21-11-13(18)16(20-21)17(22)19-10-12-7-8-14(23-5-2)15(9-12)24-6-3/h7-9,11H,4-6,10H2,1-3H3,(H,19,22)
InChIKeyVVHCOVJQROLOER-UHFFFAOYSA-N
XLogP3.28
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.83
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloropyrazol-1-yl)-N-[(3,4-diethoxyphenyl)methyl]propanamide
CID 19538530
4-chloro-1-ethyl-N-[(1-ethylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
CID 19263433
N-[(3-chloro-4-ethoxyphenyl)methyl]carbamoyl chloride
CID 115194640
2-(2,4-dichlorophenoxy)-N-[(3,4-diethoxyphenyl)methyl]acetamide
CID 99993644
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-2-ethoxybenzamide
CID 19333065
4-chloro-1-ethyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
CID 19329156
N-[(3,4-diethoxyphenyl)methyl]-1,5-dimethylpyrazole-4-carboxamide
CID 19474027
2-(4-bromopyrazol-1-yl)-N-[(3,4-diethoxyphenyl)methyl]propanamide
CID 19537609
N-[(3-chloro-4-ethoxyphenyl)methyl]-2-hydroxyacetamide
CID 115139828
N-[(3,4-diethoxyphenyl)methyl]pyridine-3-carboxamide
CID 100629145
1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(3,4-diethoxyphenyl)methyl]pyrazole-3-carboxamide
CID 19272090
1-(4-chlorophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]-5-methyltriazole-4-carboxamide
CID 46858312

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3,4-diethoxyphenyl)methyl]-1-ethylpyrazole-3-carboxamide?
The IUPAC name of 4-chloro-N-[(3,4-diethoxyphenyl)methyl]-1-ethylpyrazole-3-carboxamide (CID 19263382) is 4-chloro-N-[(3,4-diethoxyphenyl)methyl]-1-ethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-N-[(3,4-diethoxyphenyl)methyl]-1-ethylpyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-N-[(3,4-diethoxyphenyl)methyl]-1-ethylpyrazole-3-carboxamide is CCOc1ccc(CNC(=O)c2nn(CC)cc2Cl)cc1OCC.
What is the InChIKey of 4-chloro-N-[(3,4-diethoxyphenyl)methyl]-1-ethylpyrazole-3-carboxamide?
The InChIKey is VVHCOVJQROLOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O3/c1-4-21-11-13(18)16(20-21)17(22)19-10-12-7-8-14(23-5-2)15(9-12)24-6-3/h7-9,11H,4-6,10H2,1-3H3,(H,19,22).
What are the key properties of 4-chloro-N-[(3,4-diethoxyphenyl)methyl]-1-ethylpyrazole-3-carboxamide?
4-chloro-N-[(3,4-diethoxyphenyl)methyl]-1-ethylpyrazole-3-carboxamide has a molecular weight of 351.83 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(3,4-diethoxyphenyl)methyl]-1-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 19263382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).