2-(azetidin-3-yl)-N-[(2-methylpyrazol-3-yl)methyl]propanamide

C11H18N4O — CID 116677866

IUPAC2-(azetidin-3-yl)-N-[(2-methylpyrazol-3-yl)methyl]propanamide
SMILESCC(C(=O)NCc1ccnn1C)C1CNC1
InChIInChI=1S/C11H18N4O/c1-8(9-5-12-6-9)11(16)13-7-10-3-4-14-15(10)2/h3-4,8-9,12H,5-7H2,1-2H3,(H,13,16)
InChIKeyZGJYLJUGGBSHKW-UHFFFAOYSA-N
MW222.29 g/mol
LogP-0.11
Rot. Bonds4

About 2-(azetidin-3-yl)-N-[(2-methylpyrazol-3-yl)methyl]propanamide

2-(azetidin-3-yl)-N-[(2-methylpyrazol-3-yl)methyl]propanamide (PubChem CID 116677866) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-[(2-methylpyrazol-3-yl)methyl]propanamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-[(2-methylpyrazol-3-yl)methyl]propanamide
PubChem CID116677866
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name2-(azetidin-3-yl)-N-[(2-methylpyrazol-3-yl)methyl]propanamide
SMILESCC(C(=O)NCc1ccnn1C)C1CNC1
InChIInChI=1S/C11H18N4O/c1-8(9-5-12-6-9)11(16)13-7-10-3-4-14-15(10)2/h3-4,8-9,12H,5-7H2,1-2H3,(H,13,16)
InChIKeyZGJYLJUGGBSHKW-UHFFFAOYSA-N
XLogP-0.11
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azetidin-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]propanamide
CID 106416766
2-(azetidin-3-yl)-N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 64610210
N-[(2-methylpyrazol-3-yl)methyl]piperazine-2-carboxamide
CID 63302884
1-(1-cyclopropylethyl)-1-methyl-3-[(2-methylpyrazol-3-yl)methyl]urea
CID 87007413
1-(dicyclopropylmethyl)-3-[(2-methylpyrazol-3-yl)methyl]urea
CID 36977921
N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 19292671
N-[(2-methylpyrazol-3-yl)methyl]-2-propan-2-yloxyacetamide
CID 47414086
(2S)-2-amino-3,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]butanamide
CID 63302481
3-amino-3-hydroxyimino-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]propanamide
CID 76989094
(2S)-2-amino-3,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]butanamide;hydrochloride
CID 119727683
2-(azetidin-3-yl)-N-[(5-chlorothiophen-2-yl)methyl]propanamide
CID 116678035
1-amino-N-[(2-methylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide
CID 63302989

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-[(2-methylpyrazol-3-yl)methyl]propanamide?
The IUPAC name of 2-(azetidin-3-yl)-N-[(2-methylpyrazol-3-yl)methyl]propanamide (CID 116677866) is 2-(azetidin-3-yl)-N-[(2-methylpyrazol-3-yl)methyl]propanamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-[(2-methylpyrazol-3-yl)methyl]propanamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-[(2-methylpyrazol-3-yl)methyl]propanamide is CC(C(=O)NCc1ccnn1C)C1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-[(2-methylpyrazol-3-yl)methyl]propanamide?
The InChIKey is ZGJYLJUGGBSHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-8(9-5-12-6-9)11(16)13-7-10-3-4-14-15(10)2/h3-4,8-9,12H,5-7H2,1-2H3,(H,13,16).
What are the key properties of 2-(azetidin-3-yl)-N-[(2-methylpyrazol-3-yl)methyl]propanamide?
2-(azetidin-3-yl)-N-[(2-methylpyrazol-3-yl)methyl]propanamide has a molecular weight of 222.29 g/mol, XLogP of -0.11, 4 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-methylpyrazol-3-yl)methyl]propanamide is sourced from PubChem (CID 116677866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).