1-methyl-4-[3-(oxetan-3-yl)phenyl]pyrazol-5-amine

C13H15N3O — CID 117330808

IUPAC1-methyl-4-[3-(oxetan-3-yl)phenyl]pyrazol-5-amine
SMILESCn1ncc(-c2cccc(C3COC3)c2)c1N
InChIInChI=1S/C13H15N3O/c1-16-13(14)12(6-15-16)10-4-2-3-9(5-10)11-7-17-8-11/h2-6,11H,7-8,14H2,1H3
InChIKeyYFYJVHGWEDJRGP-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.78
Rot. Bonds2

About 1-methyl-4-[3-(oxetan-3-yl)phenyl]pyrazol-5-amine

1-methyl-4-[3-(oxetan-3-yl)phenyl]pyrazol-5-amine (PubChem CID 117330808) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-methyl-4-[3-(oxetan-3-yl)phenyl]pyrazol-5-amine.

Molecular Properties

Compound Name1-methyl-4-[3-(oxetan-3-yl)phenyl]pyrazol-5-amine
PubChem CID117330808
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name1-methyl-4-[3-(oxetan-3-yl)phenyl]pyrazol-5-amine
SMILESCn1ncc(-c2cccc(C3COC3)c2)c1N
InChIInChI=1S/C13H15N3O/c1-16-13(14)12(6-15-16)10-4-2-3-9(5-10)11-7-17-8-11/h2-6,11H,7-8,14H2,1H3
InChIKeyYFYJVHGWEDJRGP-UHFFFAOYSA-N
XLogP1.78
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-[2-(oxolan-3-yl)phenyl]pyrazol-5-amine
CID 117360416
4-[3-(difluoromethyl)phenyl]-1-methylpyrazol-5-amine
CID 117319243
4-(3-bromo-4-cyclopropylphenyl)-1-methylpyrazol-5-amine
CID 117471763
4-(3-cyclopentyloxyphenyl)-1-methylpyrazol-5-amine
CID 117397015
1-methyl-4-[4-(1-methylazetidin-3-yl)phenyl]pyrazol-5-amine
CID 117358254
1-[3-(5-amino-1-methylpyrazol-4-yl)phenyl]-4-methylpiperazin-2-one
CID 117459711
4-[3-chloro-4-(1-methylpiperidin-4-yl)phenyl]-1-methylpyrazol-5-amine
CID 117490119
4-(3,4-dimethylphenyl)-1-methylpyrazol-5-amine
CID 62901487
2-[3-(5-amino-1-methylpyrazol-4-yl)phenyl]-2-methylpropan-1-ol
CID 115112459
tert-butyl N-[3-(5-amino-1-methylpyrazol-4-yl)phenyl]carbamate
CID 117465942
4-[3-(dimethylamino)-4-fluorophenyl]-1-methylpyrazol-5-amine
CID 115112491
1-[3-amino-5-[3-(oxetan-3-yl)phenyl]-2-pyridinyl]-2-methylpropan-1-ol
CID 176582708

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-(oxetan-3-yl)phenyl]pyrazol-5-amine?
The IUPAC name of 1-methyl-4-[3-(oxetan-3-yl)phenyl]pyrazol-5-amine (CID 117330808) is 1-methyl-4-[3-(oxetan-3-yl)phenyl]pyrazol-5-amine.
What is the SMILES notation for 1-methyl-4-[3-(oxetan-3-yl)phenyl]pyrazol-5-amine?
The canonical SMILES for 1-methyl-4-[3-(oxetan-3-yl)phenyl]pyrazol-5-amine is Cn1ncc(-c2cccc(C3COC3)c2)c1N.
What is the InChIKey of 1-methyl-4-[3-(oxetan-3-yl)phenyl]pyrazol-5-amine?
The InChIKey is YFYJVHGWEDJRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-16-13(14)12(6-15-16)10-4-2-3-9(5-10)11-7-17-8-11/h2-6,11H,7-8,14H2,1H3.
What are the key properties of 1-methyl-4-[3-(oxetan-3-yl)phenyl]pyrazol-5-amine?
1-methyl-4-[3-(oxetan-3-yl)phenyl]pyrazol-5-amine has a molecular weight of 229.28 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[3-(oxetan-3-yl)phenyl]pyrazol-5-amine is sourced from PubChem (CID 117330808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).