3-(4-methylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)propanamide

C13H16N4O — CID 87039778

IUPAC3-(4-methylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)propanamide
SMILESCc1cnn(CCC(=O)NCc2ccccn2)c1
InChIInChI=1S/C13H16N4O/c1-11-8-16-17(10-11)7-5-13(18)15-9-12-4-2-3-6-14-12/h2-4,6,8,10H,5,7,9H2,1H3,(H,15,18)
InChIKeyQQZGXMDNESTZBV-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.29
Rot. Bonds5

About 3-(4-methylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)propanamide

3-(4-methylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 87039778) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 3-(4-methylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(4-methylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)propanamide
PubChem CID87039778
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name3-(4-methylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)propanamide
SMILESCc1cnn(CCC(=O)NCc2ccccn2)c1
InChIInChI=1S/C13H16N4O/c1-11-8-16-17(10-11)7-5-13(18)15-9-12-4-2-3-6-14-12/h2-4,6,8,10H,5,7,9H2,1H3,(H,15,18)
InChIKeyQQZGXMDNESTZBV-UHFFFAOYSA-N
XLogP1.29
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]-N-(pyridin-2-ylmethyl)acetamide
CID 95750431
3-(1,5-dimethylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 35762699
2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 95354502
2-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 56780375
N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(4-methylpyrazol-1-yl)propanamide
CID 87040695
2-(4-aminopyrazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 43445218
3-(4-formylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 109017955
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 35322613
3-iodo-N-(pyridin-2-ylmethyl)propanamide
CID 163408162
3-(4-methylpyrazol-1-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide
CID 87042762
3-(4-methylpyrazol-1-yl)-N-(2-sulfanylethyl)propanamide
CID 19559644
4-hydroxy-N-(pyridin-2-ylmethyl)pentanamide
CID 79016708

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of 3-(4-methylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)propanamide (CID 87039778) is 3-(4-methylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(4-methylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for 3-(4-methylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)propanamide is Cc1cnn(CCC(=O)NCc2ccccn2)c1.
What is the InChIKey of 3-(4-methylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is QQZGXMDNESTZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-11-8-16-17(10-11)7-5-13(18)15-9-12-4-2-3-6-14-12/h2-4,6,8,10H,5,7,9H2,1H3,(H,15,18).
What are the key properties of 3-(4-methylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)propanamide?
3-(4-methylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 244.30 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 87039778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).