N-(3-ethoxypropyl)-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide

C22H25N3O3 — CID 43016952

IUPACN-(3-ethoxypropyl)-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCCOCCCNC(=O)c1cn(-c2ccccc2)nc1-c1cccc(OC)c1
InChIInChI=1S/C22H25N3O3/c1-3-28-14-8-13-23-22(26)20-16-25(18-10-5-4-6-11-18)24-21(20)17-9-7-12-19(15-17)27-2/h4-7,9-12,15-16H,3,8,13-14H2,1-2H3,(H,23,26)
InChIKeyDJIOVVKXBDWUDM-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.70
Rot. Bonds9

About N-(3-ethoxypropyl)-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide

N-(3-ethoxypropyl)-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 43016952) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
PubChem CID43016952
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-(3-ethoxypropyl)-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCCOCCCNC(=O)c1cn(-c2ccccc2)nc1-c1cccc(OC)c1
InChIInChI=1S/C22H25N3O3/c1-3-28-14-8-13-23-22(26)20-16-25(18-10-5-4-6-11-18)24-21(20)17-9-7-12-19(15-17)27-2/h4-7,9-12,15-16H,3,8,13-14H2,1-2H3,(H,23,26)
InChIKeyDJIOVVKXBDWUDM-UHFFFAOYSA-N
XLogP3.70
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.70
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

N-(3-hydroxypropyl)-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 78795829
3-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1-phenylpyrazole-4-carboxamide
CID 29206299
3-(4-methoxyphenyl)-N-pentyl-1-phenylpyrazole-4-carboxamide
CID 18205735
N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 60557988
N-(2-acetamidoethyl)-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 26308914
3-(3-methoxyphenyl)-N-pentan-2-yl-1-phenylpyrazole-4-carboxamide
CID 42988857
1-benzyl-3-(3-methoxyphenyl)-N-(3-methoxypropyl)pyrazole-4-carboxamide
CID 51188630
N-(3-methoxypropyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 27556068
3-(2,4-dimethoxyphenyl)-N-(3-methoxypropyl)-1-phenylpyrazole-4-carboxamide
CID 29202756
N-[(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 56543719
N'-(4-hydroxy-1-phenylpyrazole-3-carbonyl)-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbohydrazide
CID 55369983
3-(2,4-dimethoxyphenyl)-N-[2-(3-methoxyphenoxy)ethyl]-1-phenylpyrazole-4-carboxamide
CID 46399913

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(3-ethoxypropyl)-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide (CID 43016952) is N-(3-ethoxypropyl)-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide is CCOCCCNC(=O)c1cn(-c2ccccc2)nc1-c1cccc(OC)c1.
What is the InChIKey of N-(3-ethoxypropyl)-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is DJIOVVKXBDWUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-3-28-14-8-13-23-22(26)20-16-25(18-10-5-4-6-11-18)24-21(20)17-9-7-12-19(15-17)27-2/h4-7,9-12,15-16H,3,8,13-14H2,1-2H3,(H,23,26).
What are the key properties of N-(3-ethoxypropyl)-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
N-(3-ethoxypropyl)-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 3.70, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 43016952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).