N-[1-(4-methoxyphenyl)ethyl]-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide

C23H22N4O2 — CID 108788899

IUPACN-[1-(4-methoxyphenyl)ethyl]-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2cnn(-c3ccc4ccccc4n3)c2C)cc1
InChIInChI=1S/C23H22N4O2/c1-15(17-8-11-19(29-3)12-9-17)25-23(28)20-14-24-27(16(20)2)22-13-10-18-6-4-5-7-21(18)26-22/h4-15H,1-3H3,(H,25,28)
InChIKeyRNGSDPWGGYZJGJ-UHFFFAOYSA-N
MW386.46 g/mol
LogP4.23
Rot. Bonds5

About N-[1-(4-methoxyphenyl)ethyl]-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide

N-[1-(4-methoxyphenyl)ethyl]-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide (PubChem CID 108788899) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)ethyl]-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)ethyl]-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
PubChem CID108788899
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC NameN-[1-(4-methoxyphenyl)ethyl]-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2cnn(-c3ccc4ccccc4n3)c2C)cc1
InChIInChI=1S/C23H22N4O2/c1-15(17-8-11-19(29-3)12-9-17)25-23(28)20-14-24-27(16(20)2)22-13-10-18-6-4-5-7-21(18)26-22/h4-15H,1-3H3,(H,25,28)
InChIKeyRNGSDPWGGYZJGJ-UHFFFAOYSA-N
XLogP4.23
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-1-quinolin-2-yl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrazole-4-carboxamide
CID 108788903
5-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108810873
N-(2-hydroxypropyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108789019
3-hydroxy-2-[(5-methyl-1-quinolin-2-ylpyrazole-4-carbonyl)amino]propanoic acid
CID 108801795
N-(2-aminoethyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108788938
N-(2-methoxy-5-methylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108801781
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108801774
5-methyl-N-(2-methyl-6-propan-2-ylphenyl)-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108788845
dimethyl 2-[(5-methyl-1-quinolin-2-ylpyrazole-4-carbonyl)amino]benzene-1,4-dicarboxylate
CID 108788953
N-(4-acetylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108801834
2-bromo-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 962592
5-methyl-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide
CID 137375534

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide (CID 108788899) is N-[1-(4-methoxyphenyl)ethyl]-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)ethyl]-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)ethyl]-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide is COc1ccc(C(C)NC(=O)c2cnn(-c3ccc4ccccc4n3)c2C)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)ethyl]-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide?
The InChIKey is RNGSDPWGGYZJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-15(17-8-11-19(29-3)12-9-17)25-23(28)20-14-24-27(16(20)2)22-13-10-18-6-4-5-7-21(18)26-22/h4-15H,1-3H3,(H,25,28).
What are the key properties of N-[1-(4-methoxyphenyl)ethyl]-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide?
N-[1-(4-methoxyphenyl)ethyl]-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide has a molecular weight of 386.46 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)ethyl]-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 108788899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).