2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]-N-propylpropanamide

C17H22N4O2 — CID 18152383

IUPAC2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NC(=O)Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C17H22N4O2/c1-3-9-18-17(23)13(2)20-16(22)10-14-11-19-21(12-14)15-7-5-4-6-8-15/h4-8,11-13H,3,9-10H2,1-2H3,(H,18,23)(H,20,22)
InChIKeyLTXNOMGYWGBPRA-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.45
Rot. Bonds7

About 2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]-N-propylpropanamide

2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]-N-propylpropanamide (PubChem CID 18152383) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]-N-propylpropanamide
PubChem CID18152383
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NC(=O)Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C17H22N4O2/c1-3-9-18-17(23)13(2)20-16(22)10-14-11-19-21(12-14)15-7-5-4-6-8-15/h4-8,11-13H,3,9-10H2,1-2H3,(H,18,23)(H,20,22)
InChIKeyLTXNOMGYWGBPRA-UHFFFAOYSA-N
XLogP1.45
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-phenylpyrazol-4-yl)-N-propylacetamide
CID 18146665
2-[(1-phenylpyrazol-4-yl)methylamino]-N-propylpropanamide
CID 43225383
(2S)-2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]hexanoic acid
CID 120615170
N-[(1S)-1-cyclopropylethyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 52528125
N-[1-(2-chlorophenyl)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 18146630
N-[1-(2-methoxyphenyl)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 16622310
2-phenyl-2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]acetamide
CID 51336196
2-methyl-3-oxo-3-[2-(1-phenylpyrazol-4-yl)ethylamino]propanoic acid
CID 122065245
(2R)-2-amino-3-methyl-N-[(1-phenylpyrazol-4-yl)methyl]butanamide
CID 79012304
N'-acetyl-2-(1-phenylpyrazol-4-yl)acetohydrazide
CID 30905613
N-tert-butyl-2-(1-phenylpyrazol-4-yl)acetamide
CID 47141475
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 134053810

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]-N-propylpropanamide?
The IUPAC name of 2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]-N-propylpropanamide (CID 18152383) is 2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]-N-propylpropanamide.
What is the SMILES notation for 2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]-N-propylpropanamide?
The canonical SMILES for 2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]-N-propylpropanamide is CCCNC(=O)C(C)NC(=O)Cc1cnn(-c2ccccc2)c1.
What is the InChIKey of 2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]-N-propylpropanamide?
The InChIKey is LTXNOMGYWGBPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-3-9-18-17(23)13(2)20-16(22)10-14-11-19-21(12-14)15-7-5-4-6-8-15/h4-8,11-13H,3,9-10H2,1-2H3,(H,18,23)(H,20,22).
What are the key properties of 2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]-N-propylpropanamide?
2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]-N-propylpropanamide has a molecular weight of 314.39 g/mol, XLogP of 1.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]-N-propylpropanamide is sourced from PubChem (CID 18152383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).