N-(5-propyl-1H-pyrazol-3-yl)-2-pyridin-4-ylacetamide

C13H16N4O — CID 112680470

IUPACN-(5-propyl-1H-pyrazol-3-yl)-2-pyridin-4-ylacetamide
SMILESCCCc1cc(NC(=O)Cc2ccncc2)n[nH]1
InChIInChI=1S/C13H16N4O/c1-2-3-11-9-12(17-16-11)15-13(18)8-10-4-6-14-7-5-10/h4-7,9H,2-3,8H2,1H3,(H2,15,16,17,18)
InChIKeyKQHUOLGEDXUGBW-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.94
Rot. Bonds5

About N-(5-propyl-1H-pyrazol-3-yl)-2-pyridin-4-ylacetamide

N-(5-propyl-1H-pyrazol-3-yl)-2-pyridin-4-ylacetamide (PubChem CID 112680470) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is N-(5-propyl-1H-pyrazol-3-yl)-2-pyridin-4-ylacetamide.

Molecular Properties

Compound NameN-(5-propyl-1H-pyrazol-3-yl)-2-pyridin-4-ylacetamide
PubChem CID112680470
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC NameN-(5-propyl-1H-pyrazol-3-yl)-2-pyridin-4-ylacetamide
SMILESCCCc1cc(NC(=O)Cc2ccncc2)n[nH]1
InChIInChI=1S/C13H16N4O/c1-2-3-11-9-12(17-16-11)15-13(18)8-10-4-6-14-7-5-10/h4-7,9H,2-3,8H2,1H3,(H2,15,16,17,18)
InChIKeyKQHUOLGEDXUGBW-UHFFFAOYSA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide
CID 112690378
3-oxo-3-[(5-propyl-1H-pyrazol-3-yl)amino]propanoic acid
CID 104621777
2-(2-chlorophenyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide
CID 115619750
3-chloro-N-(5-propyl-1H-pyrazol-3-yl)propanamide
CID 104617718
3-methyl-N-(5-propyl-1H-pyrazol-3-yl)butanamide
CID 115619770
2-(2-phenylethylsulfanyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide
CID 115621083
2-(4-butylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 47289707
1,1-dimethyl-3-(5-propyl-1H-pyrazol-3-yl)urea
CID 115621073
3-amino-3-methyl-N-(5-propyl-1H-pyrazol-3-yl)butanamide
CID 104618270
4-(hydroxymethyl)-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 104619750
N-(5-propyl-1H-pyrazol-3-yl)cyclopropanecarboxamide
CID 115619791
1-N,4-N-bis(5-propyl-1H-pyrazol-3-yl)bicyclo[2.2.2]octane-1,4-dicarboxamide
CID 166234540

Frequently Asked Questions

What is the IUPAC name of N-(5-propyl-1H-pyrazol-3-yl)-2-pyridin-4-ylacetamide?
The IUPAC name of N-(5-propyl-1H-pyrazol-3-yl)-2-pyridin-4-ylacetamide (CID 112680470) is N-(5-propyl-1H-pyrazol-3-yl)-2-pyridin-4-ylacetamide.
What is the SMILES notation for N-(5-propyl-1H-pyrazol-3-yl)-2-pyridin-4-ylacetamide?
The canonical SMILES for N-(5-propyl-1H-pyrazol-3-yl)-2-pyridin-4-ylacetamide is CCCc1cc(NC(=O)Cc2ccncc2)n[nH]1.
What is the InChIKey of N-(5-propyl-1H-pyrazol-3-yl)-2-pyridin-4-ylacetamide?
The InChIKey is KQHUOLGEDXUGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-2-3-11-9-12(17-16-11)15-13(18)8-10-4-6-14-7-5-10/h4-7,9H,2-3,8H2,1H3,(H2,15,16,17,18).
What are the key properties of N-(5-propyl-1H-pyrazol-3-yl)-2-pyridin-4-ylacetamide?
N-(5-propyl-1H-pyrazol-3-yl)-2-pyridin-4-ylacetamide has a molecular weight of 244.30 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-propyl-1H-pyrazol-3-yl)-2-pyridin-4-ylacetamide is sourced from PubChem (CID 112680470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).