5-(4-methoxyphenyl)-N-(2-quinolin-8-ylethyl)-1H-pyrazole-4-carboxamide

C22H20N4O2 — CID 78836646

IUPAC5-(4-methoxyphenyl)-N-(2-quinolin-8-ylethyl)-1H-pyrazole-4-carboxamide
SMILESCOc1ccc(-c2[nH]ncc2C(=O)NCCc2cccc3cccnc23)cc1
InChIInChI=1S/C22H20N4O2/c1-28-18-9-7-17(8-10-18)21-19(14-25-26-21)22(27)24-13-11-16-5-2-4-15-6-3-12-23-20(15)16/h2-10,12,14H,11,13H2,1H3,(H,24,27)(H,25,26)
InChIKeyYVDWTSODYOHFSN-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.61
Rot. Bonds6

About 5-(4-methoxyphenyl)-N-(2-quinolin-8-ylethyl)-1H-pyrazole-4-carboxamide

5-(4-methoxyphenyl)-N-(2-quinolin-8-ylethyl)-1H-pyrazole-4-carboxamide (PubChem CID 78836646) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-N-(2-quinolin-8-ylethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-N-(2-quinolin-8-ylethyl)-1H-pyrazole-4-carboxamide
PubChem CID78836646
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name5-(4-methoxyphenyl)-N-(2-quinolin-8-ylethyl)-1H-pyrazole-4-carboxamide
SMILESCOc1ccc(-c2[nH]ncc2C(=O)NCCc2cccc3cccnc23)cc1
InChIInChI=1S/C22H20N4O2/c1-28-18-9-7-17(8-10-18)21-19(14-25-26-21)22(27)24-13-11-16-5-2-4-15-6-3-12-23-20(15)16/h2-10,12,14H,11,13H2,1H3,(H,24,27)(H,25,26)
InChIKeyYVDWTSODYOHFSN-UHFFFAOYSA-N
XLogP3.61
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-(2-quinolin-8-ylethyl)benzamide
CID 18149251
2-(4-methoxyphenyl)-N-(2-quinolin-8-ylethyl)acetamide
CID 18149265
N-(3-aminopropyl)-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide;hydrochloride
CID 119405997
N-[4-(4-fluorophenoxy)butyl]-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 78834599
methyl N-(2-quinolin-8-ylethyl)carbamate
CID 115577084
7-[[5-(4-methoxyphenyl)-1H-pyrazole-4-carbonyl]amino]heptanoic acid
CID 119227287
2-methyl-5-methylsulfonyl-N-(2-quinolin-8-ylethyl)benzamide
CID 18144324
2-(4-methylphenoxy)-N-(2-quinolin-8-ylethyl)acetamide
CID 36644007
N-[2-(4-methoxyphenoxy)ethyl]quinoline-8-carboxamide
CID 51232751
5-(4-methoxyphenyl)-N-[3-(2-methylpropoxy)propyl]-1H-pyrazole-4-carboxamide
CID 86916114
N-[2-(4-methoxyphenoxy)ethyl]-2-quinolin-8-ylacetamide
CID 134036124
cis-(1S,2R)-2-(4-methoxyphenyl)-N-(2-quinolin-8-ylethyl)cyclopropane-1-carboxamide
CID 95303794

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-N-(2-quinolin-8-ylethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(4-methoxyphenyl)-N-(2-quinolin-8-ylethyl)-1H-pyrazole-4-carboxamide (CID 78836646) is 5-(4-methoxyphenyl)-N-(2-quinolin-8-ylethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(4-methoxyphenyl)-N-(2-quinolin-8-ylethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(4-methoxyphenyl)-N-(2-quinolin-8-ylethyl)-1H-pyrazole-4-carboxamide is COc1ccc(-c2[nH]ncc2C(=O)NCCc2cccc3cccnc23)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-N-(2-quinolin-8-ylethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is YVDWTSODYOHFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-28-18-9-7-17(8-10-18)21-19(14-25-26-21)22(27)24-13-11-16-5-2-4-15-6-3-12-23-20(15)16/h2-10,12,14H,11,13H2,1H3,(H,24,27)(H,25,26).
What are the key properties of 5-(4-methoxyphenyl)-N-(2-quinolin-8-ylethyl)-1H-pyrazole-4-carboxamide?
5-(4-methoxyphenyl)-N-(2-quinolin-8-ylethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-N-(2-quinolin-8-ylethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 78836646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).