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

C18H20N4O — CID 166207351

IUPAC3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(quinolin-2-ylmethyl)propanamide
SMILESCc1n[nH]c(C)c1CCC(=O)NCc1ccc2ccccc2n1
InChIInChI=1S/C18H20N4O/c1-12-16(13(2)22-21-12)9-10-18(23)19-11-15-8-7-14-5-3-4-6-17(14)20-15/h3-8H,9-11H2,1-2H3,(H,19,23)(H,21,22)
InChIKeyUKCWONQZOBHSGK-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.82
Rot. Bonds5

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

3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(quinolin-2-ylmethyl)propanamide (PubChem CID 166207351) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(quinolin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(quinolin-2-ylmethyl)propanamide
PubChem CID166207351
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(quinolin-2-ylmethyl)propanamide
SMILESCc1n[nH]c(C)c1CCC(=O)NCc1ccc2ccccc2n1
InChIInChI=1S/C18H20N4O/c1-12-16(13(2)22-21-12)9-10-18(23)19-11-15-8-7-14-5-3-4-6-17(14)20-15/h3-8H,9-11H2,1-2H3,(H,19,23)(H,21,22)
InChIKeyUKCWONQZOBHSGK-UHFFFAOYSA-N
XLogP2.82
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methylsulfanyl-N-(quinolin-2-ylmethyl)propanamide
CID 77090150
N-(quinolin-2-ylmethyl)-3-thiophen-2-ylpropanamide
CID 110734093
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methylquinoline-2-carboxamide
CID 77093849
4-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoylamino]methyl]benzoic acid
CID 84613407
3,3-dimethyl-N-(quinolin-2-ylmethyl)butanamide
CID 110734097
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(4-fluorophenyl)propanamide
CID 110731059
3-amino-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propanamide
CID 110460201
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 74246771
2-(8-aminoquinolin-2-yl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]acetamide
CID 110451145
quinolin-2-ylmethylcarbamothioic S-acid
CID 135200378
N-butyl-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 110685526
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-phenylacetamide
CID 110442349

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(quinolin-2-ylmethyl)propanamide?
The IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(quinolin-2-ylmethyl)propanamide (CID 166207351) is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(quinolin-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(quinolin-2-ylmethyl)propanamide?
The canonical SMILES for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(quinolin-2-ylmethyl)propanamide is Cc1n[nH]c(C)c1CCC(=O)NCc1ccc2ccccc2n1.
What is the InChIKey of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(quinolin-2-ylmethyl)propanamide?
The InChIKey is UKCWONQZOBHSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-12-16(13(2)22-21-12)9-10-18(23)19-11-15-8-7-14-5-3-4-6-17(14)20-15/h3-8H,9-11H2,1-2H3,(H,19,23)(H,21,22).
What are the key properties of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(quinolin-2-ylmethyl)propanamide?
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(quinolin-2-ylmethyl)propanamide has a molecular weight of 308.38 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(quinolin-2-ylmethyl)propanamide is sourced from PubChem (CID 166207351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).