2-(azetidin-3-ylidene)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide

C12H18N4O — CID 116676180

IUPAC2-(azetidin-3-ylidene)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
SMILESCC(C(=O)N(C)Cc1cnn(C)c1)=C1CNC1
InChIInChI=1S/C12H18N4O/c1-9(11-5-13-6-11)12(17)15(2)7-10-4-14-16(3)8-10/h4,8,13H,5-7H2,1-3H3
InChIKeyZIKBWBRYGBBQGK-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.30
Rot. Bonds3

About 2-(azetidin-3-ylidene)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide

2-(azetidin-3-ylidene)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide (PubChem CID 116676180) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
PubChem CID116676180
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name2-(azetidin-3-ylidene)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
SMILESCC(C(=O)N(C)Cc1cnn(C)c1)=C1CNC1
InChIInChI=1S/C12H18N4O/c1-9(11-5-13-6-11)12(17)15(2)7-10-4-14-16(3)8-10/h4,8,13H,5-7H2,1-3H3
InChIKeyZIKBWBRYGBBQGK-UHFFFAOYSA-N
XLogP0.30
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2,3-dimethyl-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-4-oxobut-2-enoic acid
CID 76992644
1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 60703151
2-[carboxymethyl-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]acetic acid
CID 63644606
2-[methyl-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]acetic acid
CID 61440246
2-amino-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 61265030
4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]butanoic acid
CID 61442435
(2R)-2-amino-N,3,3-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide
CID 103929109
2-amino-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide;dihydrochloride
CID 119834029
2,2-dimethyl-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-oxopropanoic acid
CID 82820708
2-cyano-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 61442217
3-amino-2-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 106111942
N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide;dihydrochloride
CID 119946233

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide (CID 116676180) is 2-(azetidin-3-ylidene)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide is CC(C(=O)N(C)Cc1cnn(C)c1)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide?
The InChIKey is ZIKBWBRYGBBQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-9(11-5-13-6-11)12(17)15(2)7-10-4-14-16(3)8-10/h4,8,13H,5-7H2,1-3H3.
What are the key properties of 2-(azetidin-3-ylidene)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide?
2-(azetidin-3-ylidene)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide has a molecular weight of 234.30 g/mol, XLogP of 0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide is sourced from PubChem (CID 116676180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).