N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide

C21H23N3O4 — CID 20918258

IUPACN-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCCOc1ccc(CNC(=O)c2cc(-c3ccc(OC)cc3)n[nH]2)cc1OC
InChIInChI=1S/C21H23N3O4/c1-4-28-19-10-5-14(11-20(19)27-3)13-22-21(25)18-12-17(23-24-18)15-6-8-16(26-2)9-7-15/h5-12H,4,13H2,1-3H3,(H,22,25)(H,23,24)
InChIKeySRDISEJLXZQNAR-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.42
Rot. Bonds8

About N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide

N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 20918258) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
PubChem CID20918258
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC NameN-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCCOc1ccc(CNC(=O)c2cc(-c3ccc(OC)cc3)n[nH]2)cc1OC
InChIInChI=1S/C21H23N3O4/c1-4-28-19-10-5-14(11-20(19)27-3)13-22-21(25)18-12-17(23-24-18)15-6-8-16(26-2)9-7-15/h5-12H,4,13H2,1-3H3,(H,22,25)(H,23,24)
InChIKeySRDISEJLXZQNAR-UHFFFAOYSA-N
XLogP3.42
TPSA85.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-butoxyphenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 71822352
N-[(4-ethoxyphenyl)methyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 71825312
N-[2-(3,4-diethoxyphenyl)ethyl]-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 20918168
3-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 20918238
N-[(3-bromophenyl)methyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46857012
methyl 5-[[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]methyl]-2-methoxybenzoate
CID 86930860
N-[[4-(dimethylamino)phenyl]methyl]-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 20918176
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 40705938
N-[(3-bromophenyl)methyl]-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46856990
N-[(3-ethoxy-4-methoxyphenyl)methyl]-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 20963592
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-fluoro-4-methoxybenzamide
CID 86981597
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 19514458

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide (CID 20918258) is N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide is CCOc1ccc(CNC(=O)c2cc(-c3ccc(OC)cc3)n[nH]2)cc1OC.
What is the InChIKey of N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is SRDISEJLXZQNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-4-28-19-10-5-14(11-20(19)27-3)13-22-21(25)18-12-17(23-24-18)15-6-8-16(26-2)9-7-15/h5-12H,4,13H2,1-3H3,(H,22,25)(H,23,24).
What are the key properties of N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide?
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 381.43 g/mol, XLogP of 3.42, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 20918258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).