2-(azetidin-3-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]propanamide

C16H20N4O — CID 116677047

IUPAC2-(azetidin-3-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]propanamide
SMILESCC(C(=O)NCc1ccccc1-n1cccn1)C1CNC1
InChIInChI=1S/C16H20N4O/c1-12(14-9-17-10-14)16(21)18-11-13-5-2-3-6-15(13)20-8-4-7-19-20/h2-8,12,14,17H,9-11H2,1H3,(H,18,21)
InChIKeyIMHJDYWPFDAQFT-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.34
Rot. Bonds5

About 2-(azetidin-3-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]propanamide

2-(azetidin-3-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]propanamide (PubChem CID 116677047) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]propanamide
PubChem CID116677047
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name2-(azetidin-3-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]propanamide
SMILESCC(C(=O)NCc1ccccc1-n1cccn1)C1CNC1
InChIInChI=1S/C16H20N4O/c1-12(14-9-17-10-14)16(21)18-11-13-5-2-3-6-15(13)20-8-4-7-19-20/h2-8,12,14,17H,9-11H2,1H3,(H,18,21)
InChIKeyIMHJDYWPFDAQFT-UHFFFAOYSA-N
XLogP1.34
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide
CID 62854534
2-amino-3-methoxy-N-[(2-pyrazol-1-ylphenyl)methyl]propanamide
CID 81089680
4-amino-3-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide
CID 81087122
(4S)-2-oxo-N-[(2-pyrazol-1-ylphenyl)methyl]imidazolidine-4-carboxamide
CID 97080000
2-cyclopropyl-N-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]propanamide
CID 136572601
2-(azetidin-3-yl)-N-[(2-methylpyrazol-3-yl)methyl]propanamide
CID 116677866
2-(azetidin-3-yl)-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
CID 116675894
(2S)-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119739823
tert-butyl N-[(2-pyrazol-1-ylphenyl)methyl]carbamate
CID 63789237
2-amino-2-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]pentanamide
CID 61165757
1-methyl-1-[(2S)-2-methylbutyl]-3-[(2-pyrazol-1-ylphenyl)methyl]urea
CID 97212409
2-(azetidin-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]propanamide
CID 106416766

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]propanamide?
The IUPAC name of 2-(azetidin-3-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]propanamide (CID 116677047) is 2-(azetidin-3-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]propanamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]propanamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]propanamide is CC(C(=O)NCc1ccccc1-n1cccn1)C1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]propanamide?
The InChIKey is IMHJDYWPFDAQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-12(14-9-17-10-14)16(21)18-11-13-5-2-3-6-15(13)20-8-4-7-19-20/h2-8,12,14,17H,9-11H2,1H3,(H,18,21).
What are the key properties of 2-(azetidin-3-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]propanamide?
2-(azetidin-3-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]propanamide has a molecular weight of 284.36 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]propanamide is sourced from PubChem (CID 116677047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).