4-chloro-3-methyl-1-(oxan-4-ylmethyl)pyrazol-5-amine

C10H16ClN3O — CID 62387049

IUPAC4-chloro-3-methyl-1-(oxan-4-ylmethyl)pyrazol-5-amine
SMILESCc1nn(CC2CCOCC2)c(N)c1Cl
InChIInChI=1S/C10H16ClN3O/c1-7-9(11)10(12)14(13-7)6-8-2-4-15-5-3-8/h8H,2-6,12H2,1H3
InChIKeyOTRTYBOULGFWAJ-UHFFFAOYSA-N
MW229.71 g/mol
LogP1.85
Rot. Bonds2

About 4-chloro-3-methyl-1-(oxan-4-ylmethyl)pyrazol-5-amine

4-chloro-3-methyl-1-(oxan-4-ylmethyl)pyrazol-5-amine (PubChem CID 62387049) has the molecular formula C10H16ClN3O and a molecular weight of 229.71 g/mol. Its IUPAC name is 4-chloro-3-methyl-1-(oxan-4-ylmethyl)pyrazol-5-amine.

Molecular Properties

Compound Name4-chloro-3-methyl-1-(oxan-4-ylmethyl)pyrazol-5-amine
PubChem CID62387049
Molecular FormulaC10H16ClN3O
Molecular Weight229.71 g/mol
Exact Mass229.10
IUPAC Name4-chloro-3-methyl-1-(oxan-4-ylmethyl)pyrazol-5-amine
SMILESCc1nn(CC2CCOCC2)c(N)c1Cl
InChIInChI=1S/C10H16ClN3O/c1-7-9(11)10(12)14(13-7)6-8-2-4-15-5-3-8/h8H,2-6,12H2,1H3
InChIKeyOTRTYBOULGFWAJ-UHFFFAOYSA-N
XLogP1.85
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-3-methyl-1-(oxan-4-ylmethyl)pyrazol-5-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-chloro-3-methyl-1-(oxan-4-ylmethyl)pyrazol-5-amine?
The IUPAC name of 4-chloro-3-methyl-1-(oxan-4-ylmethyl)pyrazol-5-amine (CID 62387049) is 4-chloro-3-methyl-1-(oxan-4-ylmethyl)pyrazol-5-amine.
What is the SMILES notation for 4-chloro-3-methyl-1-(oxan-4-ylmethyl)pyrazol-5-amine?
The canonical SMILES for 4-chloro-3-methyl-1-(oxan-4-ylmethyl)pyrazol-5-amine is Cc1nn(CC2CCOCC2)c(N)c1Cl.
What is the InChIKey of 4-chloro-3-methyl-1-(oxan-4-ylmethyl)pyrazol-5-amine?
The InChIKey is OTRTYBOULGFWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O/c1-7-9(11)10(12)14(13-7)6-8-2-4-15-5-3-8/h8H,2-6,12H2,1H3.
What are the key properties of 4-chloro-3-methyl-1-(oxan-4-ylmethyl)pyrazol-5-amine?
4-chloro-3-methyl-1-(oxan-4-ylmethyl)pyrazol-5-amine has a molecular weight of 229.71 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methyl-1-(oxan-4-ylmethyl)pyrazol-5-amine is sourced from PubChem (CID 62387049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).