1-methyl-3-N-(oxan-4-ylmethyl)pyrazole-3,4-diamine

C10H18N4O — CID 103078529

IUPAC1-methyl-3-N-(oxan-4-ylmethyl)pyrazole-3,4-diamine
SMILESCn1cc(N)c(NCC2CCOCC2)n1
InChIInChI=1S/C10H18N4O/c1-14-7-9(11)10(13-14)12-6-8-2-4-15-5-3-8/h7-8H,2-6,11H2,1H3,(H,12,13)
InChIKeyPKIVENMKSJEXBL-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.84
Rot. Bonds3

About 1-methyl-3-N-(oxan-4-ylmethyl)pyrazole-3,4-diamine

1-methyl-3-N-(oxan-4-ylmethyl)pyrazole-3,4-diamine (PubChem CID 103078529) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-methyl-3-N-(oxan-4-ylmethyl)pyrazole-3,4-diamine.

Molecular Properties

Compound Name1-methyl-3-N-(oxan-4-ylmethyl)pyrazole-3,4-diamine
PubChem CID103078529
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name1-methyl-3-N-(oxan-4-ylmethyl)pyrazole-3,4-diamine
SMILESCn1cc(N)c(NCC2CCOCC2)n1
InChIInChI=1S/C10H18N4O/c1-14-7-9(11)10(13-14)12-6-8-2-4-15-5-3-8/h7-8H,2-6,11H2,1H3,(H,12,13)
InChIKeyPKIVENMKSJEXBL-UHFFFAOYSA-N
XLogP0.84
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-methyl-3-N-(oxan-4-ylmethyl)pyrazole-3,4-diamine 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 1-methyl-3-N-(oxan-4-ylmethyl)pyrazole-3,4-diamine?
The IUPAC name of 1-methyl-3-N-(oxan-4-ylmethyl)pyrazole-3,4-diamine (CID 103078529) is 1-methyl-3-N-(oxan-4-ylmethyl)pyrazole-3,4-diamine.
What is the SMILES notation for 1-methyl-3-N-(oxan-4-ylmethyl)pyrazole-3,4-diamine?
The canonical SMILES for 1-methyl-3-N-(oxan-4-ylmethyl)pyrazole-3,4-diamine is Cn1cc(N)c(NCC2CCOCC2)n1.
What is the InChIKey of 1-methyl-3-N-(oxan-4-ylmethyl)pyrazole-3,4-diamine?
The InChIKey is PKIVENMKSJEXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-14-7-9(11)10(13-14)12-6-8-2-4-15-5-3-8/h7-8H,2-6,11H2,1H3,(H,12,13).
What are the key properties of 1-methyl-3-N-(oxan-4-ylmethyl)pyrazole-3,4-diamine?
1-methyl-3-N-(oxan-4-ylmethyl)pyrazole-3,4-diamine has a molecular weight of 210.28 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-N-(oxan-4-ylmethyl)pyrazole-3,4-diamine is sourced from PubChem (CID 103078529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).