3-(5-phenyl-1H-pyrazol-4-yl)propanamide

C12H13N3O — CID 121212688

IUPAC3-(5-phenyl-1H-pyrazol-4-yl)propanamide
SMILESNC(=O)CCc1cn[nH]c1-c1ccccc1
InChIInChI=1S/C12H13N3O/c13-11(16)7-6-10-8-14-15-12(10)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,13,16)(H,14,15)
InChIKeyJTMXGIPUXDSDMO-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.49
Rot. Bonds4

About 3-(5-phenyl-1H-pyrazol-4-yl)propanamide

3-(5-phenyl-1H-pyrazol-4-yl)propanamide (PubChem CID 121212688) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 3-(5-phenyl-1H-pyrazol-4-yl)propanamide.

Molecular Properties

Compound Name3-(5-phenyl-1H-pyrazol-4-yl)propanamide
PubChem CID121212688
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name3-(5-phenyl-1H-pyrazol-4-yl)propanamide
SMILESNC(=O)CCc1cn[nH]c1-c1ccccc1
InChIInChI=1S/C12H13N3O/c13-11(16)7-6-10-8-14-15-12(10)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,13,16)(H,14,15)
InChIKeyJTMXGIPUXDSDMO-UHFFFAOYSA-N
XLogP1.49
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-phenyl-1H-pyrazol-4-yl)propanoic acid
CID 23006026
3-(5-phenyl-1H-pyrazol-4-yl)propan-1-amine
CID 105453769
3-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]propanoic acid
CID 39096208
3-(5-phenyl-1H-pyrazol-4-yl)propanenitrile
CID 121212690
4-[[(5-phenyl-1H-pyrazol-4-yl)methylamino]methyl]benzoic acid
CID 99796602
methyl 3-(5-pyridin-3-yl-1H-pyrazol-4-yl)propanoate
CID 121212172
2-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]acetic acid
CID 105498355
methyl (2S)-3-methyl-2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]butanoate
CID 61142712
ethyl 4-[(5-phenyl-1H-pyrazol-4-yl)methylamino]butanoate
CID 64578922
N,N-dimethyl-2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]acetamide
CID 60664694
3-(5-thiophen-2-yl-1H-pyrazol-4-yl)propanoic acid
CID 39096230
3-[5-(4-butylphenyl)-1H-pyrazol-4-yl]propanehydrazide
CID 15728883

Frequently Asked Questions

What is the IUPAC name of 3-(5-phenyl-1H-pyrazol-4-yl)propanamide?
The IUPAC name of 3-(5-phenyl-1H-pyrazol-4-yl)propanamide (CID 121212688) is 3-(5-phenyl-1H-pyrazol-4-yl)propanamide.
What is the SMILES notation for 3-(5-phenyl-1H-pyrazol-4-yl)propanamide?
The canonical SMILES for 3-(5-phenyl-1H-pyrazol-4-yl)propanamide is NC(=O)CCc1cn[nH]c1-c1ccccc1.
What is the InChIKey of 3-(5-phenyl-1H-pyrazol-4-yl)propanamide?
The InChIKey is JTMXGIPUXDSDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c13-11(16)7-6-10-8-14-15-12(10)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,13,16)(H,14,15).
What are the key properties of 3-(5-phenyl-1H-pyrazol-4-yl)propanamide?
3-(5-phenyl-1H-pyrazol-4-yl)propanamide has a molecular weight of 215.26 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-phenyl-1H-pyrazol-4-yl)propanamide is sourced from PubChem (CID 121212688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).