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[3-[(6-chloropyrazin-2-yl)oxymethyl]azetidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone

C19H18ClN5O2 — CID 172882577

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC[3-[(6-chloropyrazin-2-yl)oxymethyl]azetidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone
SMILESCn1nc(-c2ccccc2)cc1C(=O)N1CC(COc2cncc(Cl)n2)C1
InChIInChI=1S/C19H18ClN5O2/c1-24-16(7-15(23-24)14-5-3-2-4-6-14)19(26)25-10-13(11-25)12-27-18-9-21-8-17(20)22-18/h2-9,13H,10-12H2,1H3
InChIKeySTSCMEGECCZMGV-UHFFFAOYSA-N
MW383.84 g/mol
LogP2.68
Rot. Bonds5

About [3-[(6-chloropyrazin-2-yl)oxymethyl]azetidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone

[3-[(6-chloropyrazin-2-yl)oxymethyl]azetidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone (PubChem CID 172882577) has the molecular formula C19H18ClN5O2 and a molecular weight of 383.84 g/mol. Its IUPAC name is [3-[(6-chloropyrazin-2-yl)oxymethyl]azetidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name[3-[(6-chloropyrazin-2-yl)oxymethyl]azetidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone
PubChem CID172882577
Molecular FormulaC19H18ClN5O2
Molecular Weight383.84 g/mol
Exact Mass383.11
IUPAC Name[3-[(6-chloropyrazin-2-yl)oxymethyl]azetidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone
SMILESCn1nc(-c2ccccc2)cc1C(=O)N1CC(COc2cncc(Cl)n2)C1
InChIInChI=1S/C19H18ClN5O2/c1-24-16(7-15(23-24)14-5-3-2-4-6-14)19(26)25-10-13(11-25)12-27-18-9-21-8-17(20)22-18/h2-9,13H,10-12H2,1H3
InChIKeySTSCMEGECCZMGV-UHFFFAOYSA-N
XLogP2.68
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[(6-chloropyrazin-2-yl)oxymethyl]azetidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone?
The IUPAC name of [3-[(6-chloropyrazin-2-yl)oxymethyl]azetidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone (CID 172882577) is [3-[(6-chloropyrazin-2-yl)oxymethyl]azetidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone.
What is the SMILES notation for [3-[(6-chloropyrazin-2-yl)oxymethyl]azetidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone?
The canonical SMILES for [3-[(6-chloropyrazin-2-yl)oxymethyl]azetidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone is Cn1nc(-c2ccccc2)cc1C(=O)N1CC(COc2cncc(Cl)n2)C1.
What is the InChIKey of [3-[(6-chloropyrazin-2-yl)oxymethyl]azetidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone?
The InChIKey is STSCMEGECCZMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O2/c1-24-16(7-15(23-24)14-5-3-2-4-6-14)19(26)25-10-13(11-25)12-27-18-9-21-8-17(20)22-18/h2-9,13H,10-12H2,1H3.
What are the key properties of [3-[(6-chloropyrazin-2-yl)oxymethyl]azetidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone?
[3-[(6-chloropyrazin-2-yl)oxymethyl]azetidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone has a molecular weight of 383.84 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(6-chloropyrazin-2-yl)oxymethyl]azetidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone is sourced from PubChem (CID 172882577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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