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

C9H15N3O — CID 69281648

IUPAC5-methyl-1-[(3-methyloxetan-3-yl)methyl]pyrazol-4-amine
SMILESCc1c(N)cnn1CC1(C)COC1
InChIInChI=1S/C9H15N3O/c1-7-8(10)3-11-12(7)4-9(2)5-13-6-9/h3H,4-6,10H2,1-2H3
InChIKeyGCYBAHUZZOLTMJ-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.81
Rot. Bonds2

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

5-methyl-1-[(3-methyloxetan-3-yl)methyl]pyrazol-4-amine (PubChem CID 69281648) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 5-methyl-1-[(3-methyloxetan-3-yl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name5-methyl-1-[(3-methyloxetan-3-yl)methyl]pyrazol-4-amine
PubChem CID69281648
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name5-methyl-1-[(3-methyloxetan-3-yl)methyl]pyrazol-4-amine
SMILESCc1c(N)cnn1CC1(C)COC1
InChIInChI=1S/C9H15N3O/c1-7-8(10)3-11-12(7)4-9(2)5-13-6-9/h3H,4-6,10H2,1-2H3
InChIKeyGCYBAHUZZOLTMJ-UHFFFAOYSA-N
XLogP0.81
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-methyl-1-[(3-methyloxetan-3-yl)methyl]pyrazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[(3-methyloxetan-3-yl)methyl]pyrazol-4-amine?
The IUPAC name of 5-methyl-1-[(3-methyloxetan-3-yl)methyl]pyrazol-4-amine (CID 69281648) is 5-methyl-1-[(3-methyloxetan-3-yl)methyl]pyrazol-4-amine.
What is the SMILES notation for 5-methyl-1-[(3-methyloxetan-3-yl)methyl]pyrazol-4-amine?
The canonical SMILES for 5-methyl-1-[(3-methyloxetan-3-yl)methyl]pyrazol-4-amine is Cc1c(N)cnn1CC1(C)COC1.
What is the InChIKey of 5-methyl-1-[(3-methyloxetan-3-yl)methyl]pyrazol-4-amine?
The InChIKey is GCYBAHUZZOLTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-7-8(10)3-11-12(7)4-9(2)5-13-6-9/h3H,4-6,10H2,1-2H3.
What are the key properties of 5-methyl-1-[(3-methyloxetan-3-yl)methyl]pyrazol-4-amine?
5-methyl-1-[(3-methyloxetan-3-yl)methyl]pyrazol-4-amine has a molecular weight of 181.24 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[(3-methyloxetan-3-yl)methyl]pyrazol-4-amine is sourced from PubChem (CID 69281648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).