N-[2-(3,4-diethoxyphenyl)ethyl]-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide

C24H29N3O4 — CID 20918168

IUPACN-[2-(3,4-diethoxyphenyl)ethyl]-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCCOc1ccc(-c2cc(C(=O)NCCc3ccc(OCC)c(OCC)c3)[nH]n2)cc1
InChIInChI=1S/C24H29N3O4/c1-4-29-19-10-8-18(9-11-19)20-16-21(27-26-20)24(28)25-14-13-17-7-12-22(30-5-2)23(15-17)31-6-3/h7-12,15-16H,4-6,13-14H2,1-3H3,(H,25,28)(H,26,27)
InChIKeyADPGMHBBDVSKDG-UHFFFAOYSA-N
MW423.51 g/mol
LogP4.25
Rot. Bonds11

About N-[2-(3,4-diethoxyphenyl)ethyl]-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide

N-[2-(3,4-diethoxyphenyl)ethyl]-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 20918168) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is N-[2-(3,4-diethoxyphenyl)ethyl]-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-diethoxyphenyl)ethyl]-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide
PubChem CID20918168
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC NameN-[2-(3,4-diethoxyphenyl)ethyl]-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCCOc1ccc(-c2cc(C(=O)NCCc3ccc(OCC)c(OCC)c3)[nH]n2)cc1
InChIInChI=1S/C24H29N3O4/c1-4-29-19-10-8-18(9-11-19)20-16-21(27-26-20)24(28)25-14-13-17-7-12-22(30-5-2)23(15-17)31-6-3/h7-12,15-16H,4-6,13-14H2,1-3H3,(H,25,28)(H,26,27)
InChIKeyADPGMHBBDVSKDG-UHFFFAOYSA-N
XLogP4.25
TPSA85.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 20918258
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 19514458
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
3-(4-methoxyphenyl)-N-[2-(4-methylphenyl)ethyl]-1H-pyrazole-5-carboxamide
CID 20918235
methyl 3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxylate
CID 2042513
N-[2-(3,4-diethoxyphenyl)ethyl]-2-(4-phenylphenoxy)acetamide
CID 7919539
N-[[4-(dimethylamino)phenyl]methyl]-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 20918176
N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 19514297
N-[1-[2-(3,4-diethoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide
CID 55337522
N-[(3-bromophenyl)methyl]-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46856990
N-[2-(3,4-diethoxyphenyl)ethyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 16765617

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide (CID 20918168) is N-[2-(3,4-diethoxyphenyl)ethyl]-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(3,4-diethoxyphenyl)ethyl]-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[2-(3,4-diethoxyphenyl)ethyl]-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide is CCOc1ccc(-c2cc(C(=O)NCCc3ccc(OCC)c(OCC)c3)[nH]n2)cc1.
What is the InChIKey of N-[2-(3,4-diethoxyphenyl)ethyl]-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is ADPGMHBBDVSKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-4-29-19-10-8-18(9-11-19)20-16-21(27-26-20)24(28)25-14-13-17-7-12-22(30-5-2)23(15-17)31-6-3/h7-12,15-16H,4-6,13-14H2,1-3H3,(H,25,28)(H,26,27).
What are the key properties of N-[2-(3,4-diethoxyphenyl)ethyl]-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide?
N-[2-(3,4-diethoxyphenyl)ethyl]-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 423.51 g/mol, XLogP of 4.25, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-diethoxyphenyl)ethyl]-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 20918168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).