2-(1-phenylpyrazol-4-yl)-N-propylacetamide

C14H17N3O — CID 18146665

IUPAC2-(1-phenylpyrazol-4-yl)-N-propylacetamide
SMILESCCCNC(=O)Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C14H17N3O/c1-2-8-15-14(18)9-12-10-16-17(11-12)13-6-4-3-5-7-13/h3-7,10-11H,2,8-9H2,1H3,(H,15,18)
InChIKeyRMWQLIOLUIZAAS-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.94
Rot. Bonds5

About 2-(1-phenylpyrazol-4-yl)-N-propylacetamide

2-(1-phenylpyrazol-4-yl)-N-propylacetamide (PubChem CID 18146665) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-(1-phenylpyrazol-4-yl)-N-propylacetamide.

Molecular Properties

Compound Name2-(1-phenylpyrazol-4-yl)-N-propylacetamide
PubChem CID18146665
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-(1-phenylpyrazol-4-yl)-N-propylacetamide
SMILESCCCNC(=O)Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C14H17N3O/c1-2-8-15-14(18)9-12-10-16-17(11-12)13-6-4-3-5-7-13/h3-7,10-11H,2,8-9H2,1H3,(H,15,18)
InChIKeyRMWQLIOLUIZAAS-UHFFFAOYSA-N
XLogP1.94
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]-N-propylpropanamide
CID 18152383
2-[2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]ethylsulfanyl]acetic acid
CID 119242498
methyl 2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]acetate
CID 47141661
2-(1-phenylpyrazol-4-yl)-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide
CID 47036694
2-(2-methylphenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 134000703
2-[(1-phenylpyrazol-4-yl)methylamino]-N-propylpropanamide
CID 43225383
N-tert-butyl-2-(1-phenylpyrazol-4-yl)acetamide
CID 47141475
N'-acetyl-2-(1-phenylpyrazol-4-yl)acetohydrazide
CID 30905613
N-[(4-ethylcyclohexyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 167772668
2-(1-phenylpyrazol-4-yl)-N-[4-(propylsulfamoyl)phenyl]acetamide
CID 38359488
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 51982797
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 35369573

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylpyrazol-4-yl)-N-propylacetamide?
The IUPAC name of 2-(1-phenylpyrazol-4-yl)-N-propylacetamide (CID 18146665) is 2-(1-phenylpyrazol-4-yl)-N-propylacetamide.
What is the SMILES notation for 2-(1-phenylpyrazol-4-yl)-N-propylacetamide?
The canonical SMILES for 2-(1-phenylpyrazol-4-yl)-N-propylacetamide is CCCNC(=O)Cc1cnn(-c2ccccc2)c1.
What is the InChIKey of 2-(1-phenylpyrazol-4-yl)-N-propylacetamide?
The InChIKey is RMWQLIOLUIZAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-2-8-15-14(18)9-12-10-16-17(11-12)13-6-4-3-5-7-13/h3-7,10-11H,2,8-9H2,1H3,(H,15,18).
What are the key properties of 2-(1-phenylpyrazol-4-yl)-N-propylacetamide?
2-(1-phenylpyrazol-4-yl)-N-propylacetamide has a molecular weight of 243.31 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylpyrazol-4-yl)-N-propylacetamide is sourced from PubChem (CID 18146665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).