2-methyl-N-[(3-methyloxetan-3-yl)methyl]pyrazol-3-amine

C9H15N3O — CID 130685382

IUPAC2-methyl-N-[(3-methyloxetan-3-yl)methyl]pyrazol-3-amine
SMILESCn1nccc1NCC1(C)COC1
InChIInChI=1S/C9H15N3O/c1-9(6-13-7-9)5-10-8-3-4-11-12(8)2/h3-4,10H,5-7H2,1-2H3
InChIKeyXRNBMCZBYONVKP-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.87
Rot. Bonds3

About 2-methyl-N-[(3-methyloxetan-3-yl)methyl]pyrazol-3-amine

2-methyl-N-[(3-methyloxetan-3-yl)methyl]pyrazol-3-amine (PubChem CID 130685382) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-methyl-N-[(3-methyloxetan-3-yl)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name2-methyl-N-[(3-methyloxetan-3-yl)methyl]pyrazol-3-amine
PubChem CID130685382
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2-methyl-N-[(3-methyloxetan-3-yl)methyl]pyrazol-3-amine
SMILESCn1nccc1NCC1(C)COC1
InChIInChI=1S/C9H15N3O/c1-9(6-13-7-9)5-10-8-3-4-11-12(8)2/h3-4,10H,5-7H2,1-2H3
InChIKeyXRNBMCZBYONVKP-UHFFFAOYSA-N
XLogP0.87
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(3-methyloxetan-3-yl)methyl]pyrazol-3-amine?
The IUPAC name of 2-methyl-N-[(3-methyloxetan-3-yl)methyl]pyrazol-3-amine (CID 130685382) is 2-methyl-N-[(3-methyloxetan-3-yl)methyl]pyrazol-3-amine.
What is the SMILES notation for 2-methyl-N-[(3-methyloxetan-3-yl)methyl]pyrazol-3-amine?
The canonical SMILES for 2-methyl-N-[(3-methyloxetan-3-yl)methyl]pyrazol-3-amine is Cn1nccc1NCC1(C)COC1.
What is the InChIKey of 2-methyl-N-[(3-methyloxetan-3-yl)methyl]pyrazol-3-amine?
The InChIKey is XRNBMCZBYONVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-9(6-13-7-9)5-10-8-3-4-11-12(8)2/h3-4,10H,5-7H2,1-2H3.
What are the key properties of 2-methyl-N-[(3-methyloxetan-3-yl)methyl]pyrazol-3-amine?
2-methyl-N-[(3-methyloxetan-3-yl)methyl]pyrazol-3-amine has a molecular weight of 181.24 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(3-methyloxetan-3-yl)methyl]pyrazol-3-amine is sourced from PubChem (CID 130685382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).