2-(azetidin-3-yl)-N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]-2-methoxyacetamide

C15H16F2N4O2 — CID 167856699

IUPAC2-(azetidin-3-yl)-N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]-2-methoxyacetamide
SMILESCOC(C(=O)Nc1cc(-c2c(F)cccc2F)[nH]n1)C1CNC1
InChIInChI=1S/C15H16F2N4O2/c1-23-14(8-6-18-7-8)15(22)19-12-5-11(20-21-12)13-9(16)3-2-4-10(13)17/h2-5,8,14,18H,6-7H2,1H3,(H2,19,20,21,22)
InChIKeyBDWXWFCQTMDFIZ-UHFFFAOYSA-N
MW322.32 g/mol
LogP1.53
Rot. Bonds5

About 2-(azetidin-3-yl)-N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]-2-methoxyacetamide

2-(azetidin-3-yl)-N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]-2-methoxyacetamide (PubChem CID 167856699) has the molecular formula C15H16F2N4O2 and a molecular weight of 322.32 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]-2-methoxyacetamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]-2-methoxyacetamide
PubChem CID167856699
Molecular FormulaC15H16F2N4O2
Molecular Weight322.32 g/mol
Exact Mass322.12
IUPAC Name2-(azetidin-3-yl)-N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]-2-methoxyacetamide
SMILESCOC(C(=O)Nc1cc(-c2c(F)cccc2F)[nH]n1)C1CNC1
InChIInChI=1S/C15H16F2N4O2/c1-23-14(8-6-18-7-8)15(22)19-12-5-11(20-21-12)13-9(16)3-2-4-10(13)17/h2-5,8,14,18H,6-7H2,1H3,(H2,19,20,21,22)
InChIKeyBDWXWFCQTMDFIZ-UHFFFAOYSA-N
XLogP1.53
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]-2-methoxyacetamide?
The IUPAC name of 2-(azetidin-3-yl)-N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]-2-methoxyacetamide (CID 167856699) is 2-(azetidin-3-yl)-N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]-2-methoxyacetamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]-2-methoxyacetamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]-2-methoxyacetamide is COC(C(=O)Nc1cc(-c2c(F)cccc2F)[nH]n1)C1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]-2-methoxyacetamide?
The InChIKey is BDWXWFCQTMDFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N4O2/c1-23-14(8-6-18-7-8)15(22)19-12-5-11(20-21-12)13-9(16)3-2-4-10(13)17/h2-5,8,14,18H,6-7H2,1H3,(H2,19,20,21,22).
What are the key properties of 2-(azetidin-3-yl)-N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]-2-methoxyacetamide?
2-(azetidin-3-yl)-N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]-2-methoxyacetamide has a molecular weight of 322.32 g/mol, XLogP of 1.53, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]-2-methoxyacetamide is sourced from PubChem (CID 167856699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).