1-[2-[4-amino-2-(4-chloro-1-methylpyrazol-5-yl)phenoxy]ethyl]azetidin-3-ol

C15H19ClN4O2 — CID 58964291

IUPAC1-[2-[4-amino-2-(4-chloro-1-methylpyrazol-5-yl)phenoxy]ethyl]azetidin-3-ol
SMILESCn1ncc(Cl)c1-c1cc(N)ccc1OCCN1CC(O)C1
InChIInChI=1S/C15H19ClN4O2/c1-19-15(13(16)7-18-19)12-6-10(17)2-3-14(12)22-5-4-20-8-11(21)9-20/h2-3,6-7,11,21H,4-5,8-9,17H2,1H3
InChIKeyZGZNCQYVZPRDSF-UHFFFAOYSA-N
MW322.80 g/mol
LogP1.38
Rot. Bonds5

About 1-[2-[4-amino-2-(4-chloro-1-methylpyrazol-5-yl)phenoxy]ethyl]azetidin-3-ol

1-[2-[4-amino-2-(4-chloro-1-methylpyrazol-5-yl)phenoxy]ethyl]azetidin-3-ol (PubChem CID 58964291) has the molecular formula C15H19ClN4O2 and a molecular weight of 322.80 g/mol. Its IUPAC name is 1-[2-[4-amino-2-(4-chloro-1-methylpyrazol-5-yl)phenoxy]ethyl]azetidin-3-ol.

Molecular Properties

Compound Name1-[2-[4-amino-2-(4-chloro-1-methylpyrazol-5-yl)phenoxy]ethyl]azetidin-3-ol
PubChem CID58964291
Molecular FormulaC15H19ClN4O2
Molecular Weight322.80 g/mol
Exact Mass322.12
IUPAC Name1-[2-[4-amino-2-(4-chloro-1-methylpyrazol-5-yl)phenoxy]ethyl]azetidin-3-ol
SMILESCn1ncc(Cl)c1-c1cc(N)ccc1OCCN1CC(O)C1
InChIInChI=1S/C15H19ClN4O2/c1-19-15(13(16)7-18-19)12-6-10(17)2-3-14(12)22-5-4-20-8-11(21)9-20/h2-3,6-7,11,21H,4-5,8-9,17H2,1H3
InChIKeyZGZNCQYVZPRDSF-UHFFFAOYSA-N
XLogP1.38
TPSA76.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.80
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[3-(4-chloro-1-methylpyrazol-5-yl)-4-[2-(3-hydroxyazetidin-1-yl)ethoxy]phenyl]-3-(4-chlorophenyl)urea
CID 11619867
1-[2-[4-amino-2-(4-bromo-1-methylpyrazol-5-yl)phenoxy]ethyl]piperidin-4-ol
CID 58964272
1-[3-(4-chloro-1-methylpyrazol-5-yl)-4-[2-(3-hydroxyazetidin-1-yl)ethoxy]phenyl]-3-(2,4-difluorophenyl)urea
CID 66928344
3-(4-chloro-1-methylpyrazol-5-yl)-N-(4-chlorophenyl)-4-(2-morpholin-4-ylethoxy)aniline;3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)aniline;(4-chlorophenyl)boronic acid
CID 159217082
N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-piperidin-1-ylethoxy)phenyl]acetamide
CID 66927767
3-(4-bromo-1-methylpyrazol-5-yl)-4-[2-(1,4-oxazepan-4-yl)ethoxy]aniline
CID 58964260
N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-2-(cyclopropylamino)acetamide
CID 24815559
3-(4-chloro-1-methylpyrazol-5-yl)-N-(3,4-difluorophenyl)-4-(2-morpholin-4-ylethoxy)aniline
CID 66927948
N-[3-(4-bromo-1-methylpyrazol-5-yl)-4-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethoxy]phenyl]-4-chlorobenzamide
CID 66928715
N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-(4-chlorophenyl)-2,2-difluoroacetamide
CID 67193233
1-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-3-(2,6-difluorophenyl)urea
CID 66928601
5-(4-chloro-1-methylpyrazol-5-yl)-6-methoxypyridin-3-amine
CID 69133234

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-amino-2-(4-chloro-1-methylpyrazol-5-yl)phenoxy]ethyl]azetidin-3-ol?
The IUPAC name of 1-[2-[4-amino-2-(4-chloro-1-methylpyrazol-5-yl)phenoxy]ethyl]azetidin-3-ol (CID 58964291) is 1-[2-[4-amino-2-(4-chloro-1-methylpyrazol-5-yl)phenoxy]ethyl]azetidin-3-ol.
What is the SMILES notation for 1-[2-[4-amino-2-(4-chloro-1-methylpyrazol-5-yl)phenoxy]ethyl]azetidin-3-ol?
The canonical SMILES for 1-[2-[4-amino-2-(4-chloro-1-methylpyrazol-5-yl)phenoxy]ethyl]azetidin-3-ol is Cn1ncc(Cl)c1-c1cc(N)ccc1OCCN1CC(O)C1.
What is the InChIKey of 1-[2-[4-amino-2-(4-chloro-1-methylpyrazol-5-yl)phenoxy]ethyl]azetidin-3-ol?
The InChIKey is ZGZNCQYVZPRDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O2/c1-19-15(13(16)7-18-19)12-6-10(17)2-3-14(12)22-5-4-20-8-11(21)9-20/h2-3,6-7,11,21H,4-5,8-9,17H2,1H3.
What are the key properties of 1-[2-[4-amino-2-(4-chloro-1-methylpyrazol-5-yl)phenoxy]ethyl]azetidin-3-ol?
1-[2-[4-amino-2-(4-chloro-1-methylpyrazol-5-yl)phenoxy]ethyl]azetidin-3-ol has a molecular weight of 322.80 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-amino-2-(4-chloro-1-methylpyrazol-5-yl)phenoxy]ethyl]azetidin-3-ol is sourced from PubChem (CID 58964291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).