2-(azetidin-3-yl)-N-[4-(1H-pyrazol-5-yl)phenyl]propanamide

C15H18N4O — CID 116675831

IUPAC2-(azetidin-3-yl)-N-[4-(1H-pyrazol-5-yl)phenyl]propanamide
SMILESCC(C(=O)Nc1ccc(-c2ccn[nH]2)cc1)C1CNC1
InChIInChI=1S/C15H18N4O/c1-10(12-8-16-9-12)15(20)18-13-4-2-11(3-5-13)14-6-7-17-19-14/h2-7,10,12,16H,8-9H2,1H3,(H,17,19)(H,18,20)
InChIKeyHXTGZVMLHUYCAW-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.87
Rot. Bonds4

About 2-(azetidin-3-yl)-N-[4-(1H-pyrazol-5-yl)phenyl]propanamide

2-(azetidin-3-yl)-N-[4-(1H-pyrazol-5-yl)phenyl]propanamide (PubChem CID 116675831) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-[4-(1H-pyrazol-5-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-[4-(1H-pyrazol-5-yl)phenyl]propanamide
PubChem CID116675831
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name2-(azetidin-3-yl)-N-[4-(1H-pyrazol-5-yl)phenyl]propanamide
SMILESCC(C(=O)Nc1ccc(-c2ccn[nH]2)cc1)C1CNC1
InChIInChI=1S/C15H18N4O/c1-10(12-8-16-9-12)15(20)18-13-4-2-11(3-5-13)14-6-7-17-19-14/h2-7,10,12,16H,8-9H2,1H3,(H,17,19)(H,18,20)
InChIKeyHXTGZVMLHUYCAW-UHFFFAOYSA-N
XLogP1.87
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-(1H-Pyrazol-4-yl)phenyl)-3-phenylpropanamide
CID 70896884
1-[3-(4-propan-2-ylanilino)piperidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one
CID 24793170
1-[(2-methylphenyl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide
CID 24819654
N-(4-cyclohexylphenyl)-1H-pyrazole-4-carboxamide
CID 110466735
1-[(3,4-difluorophenyl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide
CID 162644837
N-(4-(1H-pyrazol-3-yl)phenyl)benzamide
CID 9795233
US10023559, Example 102
CID 118903585
US10023559, Example 125
CID 118903723
3-amino-N-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-2-phenylpropanamide
CID 156562807
1-[3-(3,4-dimethylanilino)piperidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one
CID 24820090
N-(4-isopropylphenyl)-1-[3-(5-methyl-1H-pyrazol-1-yl)propanoyl]-3-piperidinamine
CID 45176595
1-[3-(dimethylamino)propyl]-3-methyl-1-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 118729137

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-[4-(1H-pyrazol-5-yl)phenyl]propanamide?
The IUPAC name of 2-(azetidin-3-yl)-N-[4-(1H-pyrazol-5-yl)phenyl]propanamide (CID 116675831) is 2-(azetidin-3-yl)-N-[4-(1H-pyrazol-5-yl)phenyl]propanamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-[4-(1H-pyrazol-5-yl)phenyl]propanamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-[4-(1H-pyrazol-5-yl)phenyl]propanamide is CC(C(=O)Nc1ccc(-c2ccn[nH]2)cc1)C1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-[4-(1H-pyrazol-5-yl)phenyl]propanamide?
The InChIKey is HXTGZVMLHUYCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-10(12-8-16-9-12)15(20)18-13-4-2-11(3-5-13)14-6-7-17-19-14/h2-7,10,12,16H,8-9H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 2-(azetidin-3-yl)-N-[4-(1H-pyrazol-5-yl)phenyl]propanamide?
2-(azetidin-3-yl)-N-[4-(1H-pyrazol-5-yl)phenyl]propanamide has a molecular weight of 270.34 g/mol, XLogP of 1.87, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-[4-(1H-pyrazol-5-yl)phenyl]propanamide is sourced from PubChem (CID 116675831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).