N-(2-methylpropyl)-2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]acetamide

C13H22N4O — CID 56780732

IUPACN-(2-methylpropyl)-2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]acetamide
SMILESCc1cnn(C2CN(CC(=O)NCC(C)C)C2)c1
InChIInChI=1S/C13H22N4O/c1-10(2)4-14-13(18)9-16-7-12(8-16)17-6-11(3)5-15-17/h5-6,10,12H,4,7-9H2,1-3H3,(H,14,18)
InChIKeyIJNOJNLIPVAFLA-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.82
Rot. Bonds5

About N-(2-methylpropyl)-2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]acetamide

N-(2-methylpropyl)-2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]acetamide (PubChem CID 56780732) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]acetamide
PubChem CID56780732
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-(2-methylpropyl)-2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]acetamide
SMILESCc1cnn(C2CN(CC(=O)NCC(C)C)C2)c1
InChIInChI=1S/C13H22N4O/c1-10(2)4-14-13(18)9-16-7-12(8-16)17-6-11(3)5-15-17/h5-6,10,12H,4,7-9H2,1-3H3,(H,14,18)
InChIKeyIJNOJNLIPVAFLA-UHFFFAOYSA-N
XLogP0.82
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]acetamide?
The IUPAC name of N-(2-methylpropyl)-2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]acetamide (CID 56780732) is N-(2-methylpropyl)-2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]acetamide.
What is the SMILES notation for N-(2-methylpropyl)-2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]acetamide?
The canonical SMILES for N-(2-methylpropyl)-2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]acetamide is Cc1cnn(C2CN(CC(=O)NCC(C)C)C2)c1.
What is the InChIKey of N-(2-methylpropyl)-2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]acetamide?
The InChIKey is IJNOJNLIPVAFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-10(2)4-14-13(18)9-16-7-12(8-16)17-6-11(3)5-15-17/h5-6,10,12H,4,7-9H2,1-3H3,(H,14,18).
What are the key properties of N-(2-methylpropyl)-2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]acetamide?
N-(2-methylpropyl)-2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]acetamide has a molecular weight of 250.35 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]acetamide is sourced from PubChem (CID 56780732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).