4-methyl-5-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-pyrazol-3-amine

C10H15N3O — CID 164643649

IUPAC4-methyl-5-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-pyrazol-3-amine
SMILESCc1c(N)n[nH]c1C1CC2CCC1O2
InChIInChI=1S/C10H15N3O/c1-5-9(12-13-10(5)11)7-4-6-2-3-8(7)14-6/h6-8H,2-4H2,1H3,(H3,11,12,13)
InChIKeyVFMIKDATGPEBQT-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.34
Rot. Bonds1

About 4-methyl-5-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-pyrazol-3-amine

4-methyl-5-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-pyrazol-3-amine (PubChem CID 164643649) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 4-methyl-5-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-methyl-5-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-pyrazol-3-amine
PubChem CID164643649
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name4-methyl-5-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-pyrazol-3-amine
SMILESCc1c(N)n[nH]c1C1CC2CCC1O2
InChIInChI=1S/C10H15N3O/c1-5-9(12-13-10(5)11)7-4-6-2-3-8(7)14-6/h6-8H,2-4H2,1H3,(H3,11,12,13)
InChIKeyVFMIKDATGPEBQT-UHFFFAOYSA-N
XLogP1.34
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-methyl-5-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-pyrazol-3-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 4-methyl-5-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-pyrazol-3-amine?
The IUPAC name of 4-methyl-5-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-pyrazol-3-amine (CID 164643649) is 4-methyl-5-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-methyl-5-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-methyl-5-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-pyrazol-3-amine is Cc1c(N)n[nH]c1C1CC2CCC1O2.
What is the InChIKey of 4-methyl-5-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-pyrazol-3-amine?
The InChIKey is VFMIKDATGPEBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-5-9(12-13-10(5)11)7-4-6-2-3-8(7)14-6/h6-8H,2-4H2,1H3,(H3,11,12,13).
What are the key properties of 4-methyl-5-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-pyrazol-3-amine?
4-methyl-5-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-pyrazol-3-amine has a molecular weight of 193.25 g/mol, XLogP of 1.34, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 164643649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).