1-(2-methoxy-5-methylphenyl)-N-[2-(2-methoxyphenoxy)ethyl]pyrazole-3-carboxamide

C21H23N3O4 — CID 48652307

IUPAC1-(2-methoxy-5-methylphenyl)-N-[2-(2-methoxyphenoxy)ethyl]pyrazole-3-carboxamide
SMILESCOc1ccccc1OCCNC(=O)c1ccn(-c2cc(C)ccc2OC)n1
InChIInChI=1S/C21H23N3O4/c1-15-8-9-18(26-2)17(14-15)24-12-10-16(23-24)21(25)22-11-13-28-20-7-5-4-6-19(20)27-3/h4-10,12,14H,11,13H2,1-3H3,(H,22,25)
InChIKeyVGYARHHKBZEBNP-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.01
Rot. Bonds8

About 1-(2-methoxy-5-methylphenyl)-N-[2-(2-methoxyphenoxy)ethyl]pyrazole-3-carboxamide

1-(2-methoxy-5-methylphenyl)-N-[2-(2-methoxyphenoxy)ethyl]pyrazole-3-carboxamide (PubChem CID 48652307) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-N-[2-(2-methoxyphenoxy)ethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-N-[2-(2-methoxyphenoxy)ethyl]pyrazole-3-carboxamide
PubChem CID48652307
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name1-(2-methoxy-5-methylphenyl)-N-[2-(2-methoxyphenoxy)ethyl]pyrazole-3-carboxamide
SMILESCOc1ccccc1OCCNC(=O)c1ccn(-c2cc(C)ccc2OC)n1
InChIInChI=1S/C21H23N3O4/c1-15-8-9-18(26-2)17(14-15)24-12-10-16(23-24)21(25)22-11-13-28-20-7-5-4-6-19(20)27-3/h4-10,12,14H,11,13H2,1-3H3,(H,22,25)
InChIKeyVGYARHHKBZEBNP-UHFFFAOYSA-N
XLogP3.01
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxy-5-methylphenyl)-N-[3-(methylamino)propyl]pyrazole-3-carboxamide
CID 119430412
N-[(1-hydroxycyclobutyl)methyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide
CID 111445526
1-(2-methoxy-5-methylphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazole-3-carboxamide
CID 86848010
N-(2-hydroxyethyl)-1-(2-methoxy-5-methylphenyl)-N-methylpyrazole-3-carboxamide
CID 110907831
N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide
CID 48692037
N-[2-(furan-2-yl)-2-hydroxyethyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide
CID 86848028
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide
CID 120948333
N-(1,3-benzodioxol-5-ylmethyl)-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide
CID 48650473
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide
CID 48672285
1-(2-methoxy-5-methylphenyl)-N-(2-methylphenyl)sulfonylpyrazole-3-carboxamide
CID 48647201
N-(4-aminocyclohexyl)-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide
CID 119475309
1-(2-methoxy-5-methylphenyl)-N-(2-phenylcyclopropyl)pyrazole-3-carboxamide
CID 48663196

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-N-[2-(2-methoxyphenoxy)ethyl]pyrazole-3-carboxamide?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-N-[2-(2-methoxyphenoxy)ethyl]pyrazole-3-carboxamide (CID 48652307) is 1-(2-methoxy-5-methylphenyl)-N-[2-(2-methoxyphenoxy)ethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-N-[2-(2-methoxyphenoxy)ethyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-N-[2-(2-methoxyphenoxy)ethyl]pyrazole-3-carboxamide is COc1ccccc1OCCNC(=O)c1ccn(-c2cc(C)ccc2OC)n1.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-N-[2-(2-methoxyphenoxy)ethyl]pyrazole-3-carboxamide?
The InChIKey is VGYARHHKBZEBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-15-8-9-18(26-2)17(14-15)24-12-10-16(23-24)21(25)22-11-13-28-20-7-5-4-6-19(20)27-3/h4-10,12,14H,11,13H2,1-3H3,(H,22,25).
What are the key properties of 1-(2-methoxy-5-methylphenyl)-N-[2-(2-methoxyphenoxy)ethyl]pyrazole-3-carboxamide?
1-(2-methoxy-5-methylphenyl)-N-[2-(2-methoxyphenoxy)ethyl]pyrazole-3-carboxamide has a molecular weight of 381.43 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-N-[2-(2-methoxyphenoxy)ethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 48652307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).