5-chloro-N-[2-(4-methoxyphenoxy)ethyl]-N,3-dimethyl-1-phenylpyrazole-4-carboxamide

C21H22ClN3O3 — CID 31284852

IUPAC5-chloro-N-[2-(4-methoxyphenoxy)ethyl]-N,3-dimethyl-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(OCCN(C)C(=O)c2c(C)nn(-c3ccccc3)c2Cl)cc1
InChIInChI=1S/C21H22ClN3O3/c1-15-19(20(22)25(23-15)16-7-5-4-6-8-16)21(26)24(2)13-14-28-18-11-9-17(27-3)10-12-18/h4-12H,13-14H2,1-3H3
InChIKeyMPISEMLPHMXQIK-UHFFFAOYSA-N
MW399.88 g/mol
LogP3.99
Rot. Bonds7

About 5-chloro-N-[2-(4-methoxyphenoxy)ethyl]-N,3-dimethyl-1-phenylpyrazole-4-carboxamide

5-chloro-N-[2-(4-methoxyphenoxy)ethyl]-N,3-dimethyl-1-phenylpyrazole-4-carboxamide (PubChem CID 31284852) has the molecular formula C21H22ClN3O3 and a molecular weight of 399.88 g/mol. Its IUPAC name is 5-chloro-N-[2-(4-methoxyphenoxy)ethyl]-N,3-dimethyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(4-methoxyphenoxy)ethyl]-N,3-dimethyl-1-phenylpyrazole-4-carboxamide
PubChem CID31284852
Molecular FormulaC21H22ClN3O3
Molecular Weight399.88 g/mol
Exact Mass399.13
IUPAC Name5-chloro-N-[2-(4-methoxyphenoxy)ethyl]-N,3-dimethyl-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(OCCN(C)C(=O)c2c(C)nn(-c3ccccc3)c2Cl)cc1
InChIInChI=1S/C21H22ClN3O3/c1-15-19(20(22)25(23-15)16-7-5-4-6-8-16)21(26)24(2)13-14-28-18-11-9-17(27-3)10-12-18/h4-12H,13-14H2,1-3H3
InChIKeyMPISEMLPHMXQIK-UHFFFAOYSA-N
XLogP3.99
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.88
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[(4-ethoxyphenyl)methyl]-N,3-dimethyl-1-phenylpyrazole-4-carboxamide
CID 27822859
5-chloro-1-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N,3-dimethylpyrazole-4-carboxamide
CID 31240354
5-chloro-N-[(2-methoxy-5-methylphenyl)methyl]-N,3-dimethyl-1-phenylpyrazole-4-carboxamide
CID 22830645
1-(4-chlorophenyl)-N,5-dimethyl-N-(2-phenoxyethyl)-1,2,4-triazole-3-carboxamide
CID 24546553
7-methoxy-N,2-dimethyl-N-(2-phenoxyethyl)quinoline-3-carboxamide
CID 27822380
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(4-methoxyphenoxy)-N-methylacetamide
CID 9140506
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-4-oxo-3-phenylphthalazine-1-carboxamide
CID 26893308
5-chloro-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-[3-(dimethylamino)propyl]-3-methyl-1-phenylpyrazole-4-carboxamide
CID 3172966
1-(4-fluorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]-N,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 55369409
5-chloro-1-[(2-chlorophenyl)methyl]-N-[2-(2-methoxyphenoxy)ethyl]-N,3-dimethylpyrazole-4-carboxamide
CID 55898744
5-chloro-1-(4-methoxyphenyl)-3-phenylpyrazole-4-carboxylic acid
CID 82364034
N-(2-hydroxy-3-methoxypropyl)-N,3,5-trimethyl-1-phenylpyrazole-4-carboxamide
CID 111695079

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(4-methoxyphenoxy)ethyl]-N,3-dimethyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-chloro-N-[2-(4-methoxyphenoxy)ethyl]-N,3-dimethyl-1-phenylpyrazole-4-carboxamide (CID 31284852) is 5-chloro-N-[2-(4-methoxyphenoxy)ethyl]-N,3-dimethyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(4-methoxyphenoxy)ethyl]-N,3-dimethyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(4-methoxyphenoxy)ethyl]-N,3-dimethyl-1-phenylpyrazole-4-carboxamide is COc1ccc(OCCN(C)C(=O)c2c(C)nn(-c3ccccc3)c2Cl)cc1.
What is the InChIKey of 5-chloro-N-[2-(4-methoxyphenoxy)ethyl]-N,3-dimethyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is MPISEMLPHMXQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O3/c1-15-19(20(22)25(23-15)16-7-5-4-6-8-16)21(26)24(2)13-14-28-18-11-9-17(27-3)10-12-18/h4-12H,13-14H2,1-3H3.
What are the key properties of 5-chloro-N-[2-(4-methoxyphenoxy)ethyl]-N,3-dimethyl-1-phenylpyrazole-4-carboxamide?
5-chloro-N-[2-(4-methoxyphenoxy)ethyl]-N,3-dimethyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 399.88 g/mol, XLogP of 3.99, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(4-methoxyphenoxy)ethyl]-N,3-dimethyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 31284852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).