1-acetyl-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]azetidine-3-carboxamide

C13H20N4O2 — CID 110246346

IUPAC1-acetyl-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]azetidine-3-carboxamide
SMILESCC(=O)N1CC(C(=O)NC(C)c2cnn(C)c2C)C1
InChIInChI=1S/C13H20N4O2/c1-8(12-5-14-16(4)9(12)2)15-13(19)11-6-17(7-11)10(3)18/h5,8,11H,6-7H2,1-4H3,(H,15,19)
InChIKeyXFJIVUKTFRKDPQ-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.38
Rot. Bonds3

About 1-acetyl-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]azetidine-3-carboxamide

1-acetyl-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]azetidine-3-carboxamide (PubChem CID 110246346) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-acetyl-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]azetidine-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]azetidine-3-carboxamide
PubChem CID110246346
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name1-acetyl-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]azetidine-3-carboxamide
SMILESCC(=O)N1CC(C(=O)NC(C)c2cnn(C)c2C)C1
InChIInChI=1S/C13H20N4O2/c1-8(12-5-14-16(4)9(12)2)15-13(19)11-6-17(7-11)10(3)18/h5,8,11H,6-7H2,1-4H3,(H,15,19)
InChIKeyXFJIVUKTFRKDPQ-UHFFFAOYSA-N
XLogP0.38
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]azetidine-3-carboxamide?
The IUPAC name of 1-acetyl-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]azetidine-3-carboxamide (CID 110246346) is 1-acetyl-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]azetidine-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]azetidine-3-carboxamide?
The canonical SMILES for 1-acetyl-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]azetidine-3-carboxamide is CC(=O)N1CC(C(=O)NC(C)c2cnn(C)c2C)C1.
What is the InChIKey of 1-acetyl-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]azetidine-3-carboxamide?
The InChIKey is XFJIVUKTFRKDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-8(12-5-14-16(4)9(12)2)15-13(19)11-6-17(7-11)10(3)18/h5,8,11H,6-7H2,1-4H3,(H,15,19).
What are the key properties of 1-acetyl-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]azetidine-3-carboxamide?
1-acetyl-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]azetidine-3-carboxamide has a molecular weight of 264.33 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]azetidine-3-carboxamide is sourced from PubChem (CID 110246346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).