3-(1H-pyrazol-4-yl)-N-(1-pyridin-3-ylethyl)propanamide

C13H16N4O — CID 122560537

IUPAC3-(1H-pyrazol-4-yl)-N-(1-pyridin-3-ylethyl)propanamide
SMILESCC(NC(=O)CCc1cn[nH]c1)c1cccnc1
InChIInChI=1S/C13H16N4O/c1-10(12-3-2-6-14-9-12)17-13(18)5-4-11-7-15-16-8-11/h2-3,6-10H,4-5H2,1H3,(H,15,16)(H,17,18)
InChIKeyHLNPZVRCUGDTLL-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.61
Rot. Bonds5

About 3-(1H-pyrazol-4-yl)-N-(1-pyridin-3-ylethyl)propanamide

3-(1H-pyrazol-4-yl)-N-(1-pyridin-3-ylethyl)propanamide (PubChem CID 122560537) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 3-(1H-pyrazol-4-yl)-N-(1-pyridin-3-ylethyl)propanamide.

Molecular Properties

Compound Name3-(1H-pyrazol-4-yl)-N-(1-pyridin-3-ylethyl)propanamide
PubChem CID122560537
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name3-(1H-pyrazol-4-yl)-N-(1-pyridin-3-ylethyl)propanamide
SMILESCC(NC(=O)CCc1cn[nH]c1)c1cccnc1
InChIInChI=1S/C13H16N4O/c1-10(12-3-2-6-14-9-12)17-13(18)5-4-11-7-15-16-8-11/h2-3,6-10H,4-5H2,1H3,(H,15,16)(H,17,18)
InChIKeyHLNPZVRCUGDTLL-UHFFFAOYSA-N
XLogP1.61
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1H-pyrazol-4-yl)-N-(1-pyridin-3-ylpropan-2-yl)propanamide
CID 131916256
N-(1-pyridin-3-ylethyl)-3-sulfanylpropanamide
CID 107022769
3-(3-chloro-4-methylphenyl)-N-(1-pyridin-3-ylethyl)propanamide
CID 24642247
3-(3-chloro-4-methylphenyl)-N-[(1R)-1-pyridin-3-ylethyl]propanamide
CID 30537602
3-(4-methylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 103856183
3-(2-bromophenyl)-N-[(1R)-1-pyridin-3-ylethyl]propanamide
CID 94172680
5-oxo-5-[[(1S)-1-pyridin-3-ylethyl]amino]pentanoic acid
CID 81407204
5-(4-methoxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]pentanamide
CID 94661779
3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(1R)-1-pyridin-3-ylethyl]propanamide
CID 35355755
6-amino-N-(1-pyridin-3-ylethyl)hexanamide
CID 43523747
3-(3-bromophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 103855882
2-(butan-2-ylamino)-N-(1-pyridin-3-ylethyl)acetamide
CID 60854286

Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrazol-4-yl)-N-(1-pyridin-3-ylethyl)propanamide?
The IUPAC name of 3-(1H-pyrazol-4-yl)-N-(1-pyridin-3-ylethyl)propanamide (CID 122560537) is 3-(1H-pyrazol-4-yl)-N-(1-pyridin-3-ylethyl)propanamide.
What is the SMILES notation for 3-(1H-pyrazol-4-yl)-N-(1-pyridin-3-ylethyl)propanamide?
The canonical SMILES for 3-(1H-pyrazol-4-yl)-N-(1-pyridin-3-ylethyl)propanamide is CC(NC(=O)CCc1cn[nH]c1)c1cccnc1.
What is the InChIKey of 3-(1H-pyrazol-4-yl)-N-(1-pyridin-3-ylethyl)propanamide?
The InChIKey is HLNPZVRCUGDTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-10(12-3-2-6-14-9-12)17-13(18)5-4-11-7-15-16-8-11/h2-3,6-10H,4-5H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 3-(1H-pyrazol-4-yl)-N-(1-pyridin-3-ylethyl)propanamide?
3-(1H-pyrazol-4-yl)-N-(1-pyridin-3-ylethyl)propanamide has a molecular weight of 244.30 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrazol-4-yl)-N-(1-pyridin-3-ylethyl)propanamide is sourced from PubChem (CID 122560537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).