2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-quinolin-3-ylethyl)propanamide

C19H22N4O — CID 136565853

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-quinolin-3-ylethyl)propanamide
SMILESCc1n[nH]c(C)c1C(C)C(=O)NCCc1cnc2ccccc2c1
InChIInChI=1S/C19H22N4O/c1-12(18-13(2)22-23-14(18)3)19(24)20-9-8-15-10-16-6-4-5-7-17(16)21-11-15/h4-7,10-12H,8-9H2,1-3H3,(H,20,24)(H,22,23)
InChIKeyDTWDTIPBZUSKPF-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.04
Rot. Bonds5

About 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-quinolin-3-ylethyl)propanamide

2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-quinolin-3-ylethyl)propanamide (PubChem CID 136565853) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-quinolin-3-ylethyl)propanamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-quinolin-3-ylethyl)propanamide
PubChem CID136565853
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-quinolin-3-ylethyl)propanamide
SMILESCc1n[nH]c(C)c1C(C)C(=O)NCCc1cnc2ccccc2c1
InChIInChI=1S/C19H22N4O/c1-12(18-13(2)22-23-14(18)3)19(24)20-9-8-15-10-16-6-4-5-7-17(16)21-11-15/h4-7,10-12H,8-9H2,1-3H3,(H,20,24)(H,22,23)
InChIKeyDTWDTIPBZUSKPF-UHFFFAOYSA-N
XLogP3.04
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(quinolin-2-ylamino)ethyl]propanamide
CID 99854148
2-methyl-N-(quinolin-3-ylmethyl)propanamide
CID 110733747
2-methyl-N-(2-quinolin-3-ylethyl)propan-1-amine
CID 62603664
4-(2-quinolin-3-ylethylcarbamoyl)bicyclo[2.2.1]heptane-1-carboxylic acid
CID 146133231
2-ethyl-N-(quinolin-3-ylmethyl)butanamide
CID 110733756
3-(3-chloro-4-methylpentyl)quinoline
CID 64508881
2-quinolin-3-ylethanol
CID 53403774
2-(2-methylphenoxy)-N-(quinolin-3-ylmethyl)acetamide
CID 110733809
3-(3-chloro-4,4-dimethylpentyl)quinoline
CID 64507771
(6-methyl-4-oxo-1H-pyridazin-3-yl)methyl 3-quinolin-3-ylpropanoate
CID 154857844
N-(2,4-dimethylphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 20950798
N-[2-(4-fluorophenyl)ethyl]quinoline-3-carboxamide
CID 110694769

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-quinolin-3-ylethyl)propanamide?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-quinolin-3-ylethyl)propanamide (CID 136565853) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-quinolin-3-ylethyl)propanamide.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-quinolin-3-ylethyl)propanamide?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-quinolin-3-ylethyl)propanamide is Cc1n[nH]c(C)c1C(C)C(=O)NCCc1cnc2ccccc2c1.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-quinolin-3-ylethyl)propanamide?
The InChIKey is DTWDTIPBZUSKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-12(18-13(2)22-23-14(18)3)19(24)20-9-8-15-10-16-6-4-5-7-17(16)21-11-15/h4-7,10-12H,8-9H2,1-3H3,(H,20,24)(H,22,23).
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-quinolin-3-ylethyl)propanamide?
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-quinolin-3-ylethyl)propanamide has a molecular weight of 322.41 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-quinolin-3-ylethyl)propanamide is sourced from PubChem (CID 136565853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).