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

C15H21N5O — CID 56780742

IUPACN-(1-cyano-1-cyclopropylethyl)-2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]acetamide
SMILESCc1cnn(C2CN(CC(=O)NC(C)(C#N)C3CC3)C2)c1
InChIInChI=1S/C15H21N5O/c1-11-5-17-20(6-11)13-7-19(8-13)9-14(21)18-15(2,10-16)12-3-4-12/h5-6,12-13H,3-4,7-9H2,1-2H3,(H,18,21)
InChIKeyDKBOTSNPMJTWOZ-UHFFFAOYSA-N
MW287.37 g/mol
LogP0.86
Rot. Bonds5

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

N-(1-cyano-1-cyclopropylethyl)-2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]acetamide (PubChem CID 56780742) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is N-(1-cyano-1-cyclopropylethyl)-2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-cyano-1-cyclopropylethyl)-2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]acetamide
PubChem CID56780742
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC NameN-(1-cyano-1-cyclopropylethyl)-2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]acetamide
SMILESCc1cnn(C2CN(CC(=O)NC(C)(C#N)C3CC3)C2)c1
InChIInChI=1S/C15H21N5O/c1-11-5-17-20(6-11)13-7-19(8-13)9-14(21)18-15(2,10-16)12-3-4-12/h5-6,12-13H,3-4,7-9H2,1-2H3,(H,18,21)
InChIKeyDKBOTSNPMJTWOZ-UHFFFAOYSA-N
XLogP0.86
TPSA73.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-1-cyclopropylethyl)-2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]acetamide?
The IUPAC name of N-(1-cyano-1-cyclopropylethyl)-2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]acetamide (CID 56780742) is N-(1-cyano-1-cyclopropylethyl)-2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]acetamide.
What is the SMILES notation for N-(1-cyano-1-cyclopropylethyl)-2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]acetamide?
The canonical SMILES for N-(1-cyano-1-cyclopropylethyl)-2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]acetamide is Cc1cnn(C2CN(CC(=O)NC(C)(C#N)C3CC3)C2)c1.
What is the InChIKey of N-(1-cyano-1-cyclopropylethyl)-2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]acetamide?
The InChIKey is DKBOTSNPMJTWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-11-5-17-20(6-11)13-7-19(8-13)9-14(21)18-15(2,10-16)12-3-4-12/h5-6,12-13H,3-4,7-9H2,1-2H3,(H,18,21).
What are the key properties of N-(1-cyano-1-cyclopropylethyl)-2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]acetamide?
N-(1-cyano-1-cyclopropylethyl)-2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]acetamide has a molecular weight of 287.37 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-1-cyclopropylethyl)-2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]acetamide is sourced from PubChem (CID 56780742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).