1-(2-ethylphenyl)-5-methyl-N-quinolin-2-ylpyrazole-3-carboxamide

C22H20N4O — CID 137375515

IUPAC1-(2-ethylphenyl)-5-methyl-N-quinolin-2-ylpyrazole-3-carboxamide
SMILESCCc1ccccc1-n1nc(C(=O)Nc2ccc3ccccc3n2)cc1C
InChIInChI=1S/C22H20N4O/c1-3-16-8-5-7-11-20(16)26-15(2)14-19(25-26)22(27)24-21-13-12-17-9-4-6-10-18(17)23-21/h4-14H,3H2,1-2H3,(H,23,24,27)
InChIKeySCFRBHUHFHNVOW-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.54
Rot. Bonds4

About 1-(2-ethylphenyl)-5-methyl-N-quinolin-2-ylpyrazole-3-carboxamide

1-(2-ethylphenyl)-5-methyl-N-quinolin-2-ylpyrazole-3-carboxamide (PubChem CID 137375515) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-5-methyl-N-quinolin-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-ethylphenyl)-5-methyl-N-quinolin-2-ylpyrazole-3-carboxamide
PubChem CID137375515
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC Name1-(2-ethylphenyl)-5-methyl-N-quinolin-2-ylpyrazole-3-carboxamide
SMILESCCc1ccccc1-n1nc(C(=O)Nc2ccc3ccccc3n2)cc1C
InChIInChI=1S/C22H20N4O/c1-3-16-8-5-7-11-20(16)26-15(2)14-19(25-26)22(27)24-21-13-12-17-9-4-6-10-18(17)23-21/h4-14H,3H2,1-2H3,(H,23,24,27)
InChIKeySCFRBHUHFHNVOW-UHFFFAOYSA-N
XLogP4.54
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-5-methyl-N-quinolin-2-ylpyrazole-3-carboxamide?
The IUPAC name of 1-(2-ethylphenyl)-5-methyl-N-quinolin-2-ylpyrazole-3-carboxamide (CID 137375515) is 1-(2-ethylphenyl)-5-methyl-N-quinolin-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(2-ethylphenyl)-5-methyl-N-quinolin-2-ylpyrazole-3-carboxamide?
The canonical SMILES for 1-(2-ethylphenyl)-5-methyl-N-quinolin-2-ylpyrazole-3-carboxamide is CCc1ccccc1-n1nc(C(=O)Nc2ccc3ccccc3n2)cc1C.
What is the InChIKey of 1-(2-ethylphenyl)-5-methyl-N-quinolin-2-ylpyrazole-3-carboxamide?
The InChIKey is SCFRBHUHFHNVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O/c1-3-16-8-5-7-11-20(16)26-15(2)14-19(25-26)22(27)24-21-13-12-17-9-4-6-10-18(17)23-21/h4-14H,3H2,1-2H3,(H,23,24,27).
What are the key properties of 1-(2-ethylphenyl)-5-methyl-N-quinolin-2-ylpyrazole-3-carboxamide?
1-(2-ethylphenyl)-5-methyl-N-quinolin-2-ylpyrazole-3-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-5-methyl-N-quinolin-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 137375515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).