N-(1-pyridin-4-ylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

C15H20N4O — CID 42929090

IUPACN-(1-pyridin-4-ylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1CC(=O)NC(C)c1ccncc1
InChIInChI=1S/C15H20N4O/c1-10(13-5-7-16-8-6-13)17-15(20)9-14-11(2)18-19(4)12(14)3/h5-8,10H,9H2,1-4H3,(H,17,20)
InChIKeyPSXOHWJVTDJSEA-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.85
Rot. Bonds4

About N-(1-pyridin-4-ylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

N-(1-pyridin-4-ylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 42929090) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-(1-pyridin-4-ylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(1-pyridin-4-ylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID42929090
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-(1-pyridin-4-ylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1CC(=O)NC(C)c1ccncc1
InChIInChI=1S/C15H20N4O/c1-10(13-5-7-16-8-6-13)17-15(20)9-14-11(2)18-19(4)12(14)3/h5-8,10H,9H2,1-4H3,(H,17,20)
InChIKeyPSXOHWJVTDJSEA-UHFFFAOYSA-N
XLogP1.85
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(4-sulfamoylphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 41358567
N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 55841246
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 33077344
3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]butanoic acid
CID 43360913
2-(4-methylphenyl)-N-(1-pyridin-4-ylethyl)acetamide
CID 17168099
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 51295317
2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1-phenylethyl)acetamide
CID 46652170
N-[(4-methylphenyl)-phenylmethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 51295081
ethyl 2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]propanoate
CID 61342578
(2R)-4-methyl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]pentanoic acid
CID 78975678
N-[4-(propan-2-ylcarbamoylamino)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 38167692
N-[(4-butan-2-ylphenyl)-thiophen-2-ylmethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 43050711

Frequently Asked Questions

What is the IUPAC name of N-(1-pyridin-4-ylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of N-(1-pyridin-4-ylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 42929090) is N-(1-pyridin-4-ylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-(1-pyridin-4-ylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for N-(1-pyridin-4-ylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1nn(C)c(C)c1CC(=O)NC(C)c1ccncc1.
What is the InChIKey of N-(1-pyridin-4-ylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is PSXOHWJVTDJSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-10(13-5-7-16-8-6-13)17-15(20)9-14-11(2)18-19(4)12(14)3/h5-8,10H,9H2,1-4H3,(H,17,20).
What are the key properties of N-(1-pyridin-4-ylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
N-(1-pyridin-4-ylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 272.35 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyridin-4-ylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 42929090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).