4-chloro-N-[2-[4-(2-ethoxyethyl)-2-methylphenoxy]ethyl]-1,3-dimethylpyrazole-5-carboxamide

C19H26ClN3O3 — CID 14995821

IUPAC4-chloro-N-[2-[4-(2-ethoxyethyl)-2-methylphenoxy]ethyl]-1,3-dimethylpyrazole-5-carboxamide
SMILESCCOCCc1ccc(OCCNC(=O)c2c(Cl)c(C)nn2C)c(C)c1
InChIInChI=1S/C19H26ClN3O3/c1-5-25-10-8-15-6-7-16(13(2)12-15)26-11-9-21-19(24)18-17(20)14(3)22-23(18)4/h6-7,12H,5,8-11H2,1-4H3,(H,21,24)
InChIKeyYWHPBGSWQMRODW-UHFFFAOYSA-N
MW379.89 g/mol
LogP3.08
Rot. Bonds9

About 4-chloro-N-[2-[4-(2-ethoxyethyl)-2-methylphenoxy]ethyl]-1,3-dimethylpyrazole-5-carboxamide

4-chloro-N-[2-[4-(2-ethoxyethyl)-2-methylphenoxy]ethyl]-1,3-dimethylpyrazole-5-carboxamide (PubChem CID 14995821) has the molecular formula C19H26ClN3O3 and a molecular weight of 379.89 g/mol. Its IUPAC name is 4-chloro-N-[2-[4-(2-ethoxyethyl)-2-methylphenoxy]ethyl]-1,3-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[2-[4-(2-ethoxyethyl)-2-methylphenoxy]ethyl]-1,3-dimethylpyrazole-5-carboxamide
PubChem CID14995821
Molecular FormulaC19H26ClN3O3
Molecular Weight379.89 g/mol
Exact Mass379.17
IUPAC Name4-chloro-N-[2-[4-(2-ethoxyethyl)-2-methylphenoxy]ethyl]-1,3-dimethylpyrazole-5-carboxamide
SMILESCCOCCc1ccc(OCCNC(=O)c2c(Cl)c(C)nn2C)c(C)c1
InChIInChI=1S/C19H26ClN3O3/c1-5-25-10-8-15-6-7-16(13(2)12-15)26-11-9-21-19(24)18-17(20)14(3)22-23(18)4/h6-7,12H,5,8-11H2,1-4H3,(H,21,24)
InChIKeyYWHPBGSWQMRODW-UHFFFAOYSA-N
XLogP3.08
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.89
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Tolfenpyrad
CID 10110536
4-chloro-N-[[4-(4-chlorophenoxy)phenyl]methyl]-1,3-dimethylpyrazole-5-carboxamide
CID 162670337
5-chloro-N-[2-(2-methoxyphenyl)ethyl]-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 17558506
N-benzyl-1-[(5-chloro-2-phenylmethoxyphenyl)methyl]-5-methylpyrazole-3-carboxamide
CID 44448521
1-({5-Chloro-2-[(phenylmethyl)oxy]phenyl}methyl)-5-methyl-N-(1-methylethyl)-1H-pyrazole-3-carboxamide
CID 44448597
1-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N,5-dimethylpyrazole-3-carboxamide
CID 44448599
N-(3-{N-[(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]ethanehydrazonoyl}phenyl)-2-phenoxyacetamide
CID 5433144
4-chloro-N'-[4-methoxy-3-(4-morpholinylmethyl)benzylidene]-1-methyl-1H-pyrazole-3-carbohydrazide
CID 5454401
4-chloro-N-[[4-(4-chlorophenoxy)phenyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 15008455
N-[2-(4-ethoxyphenyl)ethyl]-3-methyl-1-phenyl-1H-pyrazole-5-carboxamide
CID 16193356
4-chloro-N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazole-3-carboxamide
CID 891955
5-chloro-N-{2-[(4-methoxybenzyl)amino]-2-oxoethyl}-1,3-dimethyl-1H-pyrazole-4-carboxamide
CID 1482921

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[4-(2-ethoxyethyl)-2-methylphenoxy]ethyl]-1,3-dimethylpyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-[2-[4-(2-ethoxyethyl)-2-methylphenoxy]ethyl]-1,3-dimethylpyrazole-5-carboxamide (CID 14995821) is 4-chloro-N-[2-[4-(2-ethoxyethyl)-2-methylphenoxy]ethyl]-1,3-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-[2-[4-(2-ethoxyethyl)-2-methylphenoxy]ethyl]-1,3-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-[2-[4-(2-ethoxyethyl)-2-methylphenoxy]ethyl]-1,3-dimethylpyrazole-5-carboxamide is CCOCCc1ccc(OCCNC(=O)c2c(Cl)c(C)nn2C)c(C)c1.
What is the InChIKey of 4-chloro-N-[2-[4-(2-ethoxyethyl)-2-methylphenoxy]ethyl]-1,3-dimethylpyrazole-5-carboxamide?
The InChIKey is YWHPBGSWQMRODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3O3/c1-5-25-10-8-15-6-7-16(13(2)12-15)26-11-9-21-19(24)18-17(20)14(3)22-23(18)4/h6-7,12H,5,8-11H2,1-4H3,(H,21,24).
What are the key properties of 4-chloro-N-[2-[4-(2-ethoxyethyl)-2-methylphenoxy]ethyl]-1,3-dimethylpyrazole-5-carboxamide?
4-chloro-N-[2-[4-(2-ethoxyethyl)-2-methylphenoxy]ethyl]-1,3-dimethylpyrazole-5-carboxamide has a molecular weight of 379.89 g/mol, XLogP of 3.08, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[4-(2-ethoxyethyl)-2-methylphenoxy]ethyl]-1,3-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 14995821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).