2-(3,5-dimethyl-4-quinolin-6-ylpyrazol-1-yl)-N-(2-methylpyrazol-3-yl)acetamide

C20H20N6O — CID 46991343

IUPAC2-(3,5-dimethyl-4-quinolin-6-ylpyrazol-1-yl)-N-(2-methylpyrazol-3-yl)acetamide
SMILESCc1nn(CC(=O)Nc2ccnn2C)c(C)c1-c1ccc2ncccc2c1
InChIInChI=1S/C20H20N6O/c1-13-20(16-6-7-17-15(11-16)5-4-9-21-17)14(2)26(24-13)12-19(27)23-18-8-10-22-25(18)3/h4-11H,12H2,1-3H3,(H,23,27)
InChIKeyGUYNWIDWDQNHCA-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.09
Rot. Bonds4

About 2-(3,5-dimethyl-4-quinolin-6-ylpyrazol-1-yl)-N-(2-methylpyrazol-3-yl)acetamide

2-(3,5-dimethyl-4-quinolin-6-ylpyrazol-1-yl)-N-(2-methylpyrazol-3-yl)acetamide (PubChem CID 46991343) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is 2-(3,5-dimethyl-4-quinolin-6-ylpyrazol-1-yl)-N-(2-methylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-4-quinolin-6-ylpyrazol-1-yl)-N-(2-methylpyrazol-3-yl)acetamide
PubChem CID46991343
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name2-(3,5-dimethyl-4-quinolin-6-ylpyrazol-1-yl)-N-(2-methylpyrazol-3-yl)acetamide
SMILESCc1nn(CC(=O)Nc2ccnn2C)c(C)c1-c1ccc2ncccc2c1
InChIInChI=1S/C20H20N6O/c1-13-20(16-6-7-17-15(11-16)5-4-9-21-17)14(2)26(24-13)12-19(27)23-18-8-10-22-25(18)3/h4-11H,12H2,1-3H3,(H,23,27)
InChIKeyGUYNWIDWDQNHCA-UHFFFAOYSA-N
XLogP3.09
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Afimetoran
CID 132271862
(R)-2-(5-methyl-1-(pyridin-2-yl)-1H-pyrazol-4-yl)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline
CID 11603648
1-(8-(4-(1-methyl-1H-pyrazol-4-yl)phenyl)-1,6-naphthyridin-2-yl)imidazolidin-2-one
CID 118660806
2-[[6-(5-amino-4-methyl-3-pyridinyl)-7-fluoroisoquinolin-3-yl]amino]-6-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one
CID 146310366
N-(8-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)acetamide
CID 944850
1-[3-Tert-Butyl-1-(4-Methylphenyl)-1h-Pyrazol-5-Yl]-3-[4-(Pyridin-3-Yl)phenyl]urea
CID 71695585
4-(azetidine-1-carbonyl)-1-methyl-N-(1-methyl-3-quinolin-2-ylpyrazol-5-yl)pyrazole-5-carboxamide
CID 165415058
(2S)-2-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]amino]-N-(5-phenyl-2-pyridinyl)propanamide
CID 122234475
N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)pyridine-2-carboxamide
CID 665268
N-(6-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)pyridine-2-carboxamide
CID 1397035
N-[6-methyl-1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]pyridine-2-carboxamide
CID 1400841
1-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-3-(4-pyridin-4-ylmethyl-phenyl)-urea
CID 9969008

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-4-quinolin-6-ylpyrazol-1-yl)-N-(2-methylpyrazol-3-yl)acetamide?
The IUPAC name of 2-(3,5-dimethyl-4-quinolin-6-ylpyrazol-1-yl)-N-(2-methylpyrazol-3-yl)acetamide (CID 46991343) is 2-(3,5-dimethyl-4-quinolin-6-ylpyrazol-1-yl)-N-(2-methylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-4-quinolin-6-ylpyrazol-1-yl)-N-(2-methylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-(3,5-dimethyl-4-quinolin-6-ylpyrazol-1-yl)-N-(2-methylpyrazol-3-yl)acetamide is Cc1nn(CC(=O)Nc2ccnn2C)c(C)c1-c1ccc2ncccc2c1.
What is the InChIKey of 2-(3,5-dimethyl-4-quinolin-6-ylpyrazol-1-yl)-N-(2-methylpyrazol-3-yl)acetamide?
The InChIKey is GUYNWIDWDQNHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c1-13-20(16-6-7-17-15(11-16)5-4-9-21-17)14(2)26(24-13)12-19(27)23-18-8-10-22-25(18)3/h4-11H,12H2,1-3H3,(H,23,27).
What are the key properties of 2-(3,5-dimethyl-4-quinolin-6-ylpyrazol-1-yl)-N-(2-methylpyrazol-3-yl)acetamide?
2-(3,5-dimethyl-4-quinolin-6-ylpyrazol-1-yl)-N-(2-methylpyrazol-3-yl)acetamide has a molecular weight of 360.42 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-4-quinolin-6-ylpyrazol-1-yl)-N-(2-methylpyrazol-3-yl)acetamide is sourced from PubChem (CID 46991343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).