2-(azetidin-3-yl)-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)propanamide

C13H22N4O — CID 114263072

IUPAC2-(azetidin-3-yl)-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)propanamide
SMILESCC(C)c1nn(C)cc1NC(=O)C(C)C1CNC1
InChIInChI=1S/C13H22N4O/c1-8(2)12-11(7-17(4)16-12)15-13(18)9(3)10-5-14-6-10/h7-10,14H,5-6H2,1-4H3,(H,15,18)
InChIKeyVQSMPFZTGVDBJH-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.34
Rot. Bonds4

About 2-(azetidin-3-yl)-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)propanamide

2-(azetidin-3-yl)-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)propanamide (PubChem CID 114263072) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)propanamide
PubChem CID114263072
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-(azetidin-3-yl)-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)propanamide
SMILESCC(C)c1nn(C)cc1NC(=O)C(C)C1CNC1
InChIInChI=1S/C13H22N4O/c1-8(2)12-11(7-17(4)16-12)15-13(18)9(3)10-5-14-6-10/h7-10,14H,5-6H2,1-4H3,(H,15,18)
InChIKeyVQSMPFZTGVDBJH-UHFFFAOYSA-N
XLogP1.34
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)propanamide?
The IUPAC name of 2-(azetidin-3-yl)-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)propanamide (CID 114263072) is 2-(azetidin-3-yl)-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)propanamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)propanamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)propanamide is CC(C)c1nn(C)cc1NC(=O)C(C)C1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)propanamide?
The InChIKey is VQSMPFZTGVDBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-8(2)12-11(7-17(4)16-12)15-13(18)9(3)10-5-14-6-10/h7-10,14H,5-6H2,1-4H3,(H,15,18).
What are the key properties of 2-(azetidin-3-yl)-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)propanamide?
2-(azetidin-3-yl)-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)propanamide has a molecular weight of 250.35 g/mol, XLogP of 1.34, 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-(1-methyl-3-propan-2-ylpyrazol-4-yl)propanamide is sourced from PubChem (CID 114263072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).