1-[4-chloro-1-methyl-5-(1,3-oxazol-2-yl)pyrazol-3-yl]-N-methylmethanamine

C9H11ClN4O — CID 71081573

IUPAC1-[4-chloro-1-methyl-5-(1,3-oxazol-2-yl)pyrazol-3-yl]-N-methylmethanamine
SMILESCNCc1nn(C)c(-c2ncco2)c1Cl
InChIInChI=1S/C9H11ClN4O/c1-11-5-6-7(10)8(14(2)13-6)9-12-3-4-15-9/h3-4,11H,5H2,1-2H3
InChIKeyFVNHQFKVJWIFCY-UHFFFAOYSA-N
MW226.67 g/mol
LogP1.45
Rot. Bonds3

About 1-[4-chloro-1-methyl-5-(1,3-oxazol-2-yl)pyrazol-3-yl]-N-methylmethanamine

1-[4-chloro-1-methyl-5-(1,3-oxazol-2-yl)pyrazol-3-yl]-N-methylmethanamine (PubChem CID 71081573) has the molecular formula C9H11ClN4O and a molecular weight of 226.67 g/mol. Its IUPAC name is 1-[4-chloro-1-methyl-5-(1,3-oxazol-2-yl)pyrazol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-chloro-1-methyl-5-(1,3-oxazol-2-yl)pyrazol-3-yl]-N-methylmethanamine
PubChem CID71081573
Molecular FormulaC9H11ClN4O
Molecular Weight226.67 g/mol
Exact Mass226.06
IUPAC Name1-[4-chloro-1-methyl-5-(1,3-oxazol-2-yl)pyrazol-3-yl]-N-methylmethanamine
SMILESCNCc1nn(C)c(-c2ncco2)c1Cl
InChIInChI=1S/C9H11ClN4O/c1-11-5-6-7(10)8(14(2)13-6)9-12-3-4-15-9/h3-4,11H,5H2,1-2H3
InChIKeyFVNHQFKVJWIFCY-UHFFFAOYSA-N
XLogP1.45
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.67
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-chloro-1-methyl-5-(1,3-oxazol-2-yl)pyrazol-3-yl]-N-methylmethanamine 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-[4-chloro-1-methyl-5-(1,3-oxazol-2-yl)pyrazol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-chloro-1-methyl-5-(1,3-oxazol-2-yl)pyrazol-3-yl]-N-methylmethanamine (CID 71081573) is 1-[4-chloro-1-methyl-5-(1,3-oxazol-2-yl)pyrazol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-chloro-1-methyl-5-(1,3-oxazol-2-yl)pyrazol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-chloro-1-methyl-5-(1,3-oxazol-2-yl)pyrazol-3-yl]-N-methylmethanamine is CNCc1nn(C)c(-c2ncco2)c1Cl.
What is the InChIKey of 1-[4-chloro-1-methyl-5-(1,3-oxazol-2-yl)pyrazol-3-yl]-N-methylmethanamine?
The InChIKey is FVNHQFKVJWIFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4O/c1-11-5-6-7(10)8(14(2)13-6)9-12-3-4-15-9/h3-4,11H,5H2,1-2H3.
What are the key properties of 1-[4-chloro-1-methyl-5-(1,3-oxazol-2-yl)pyrazol-3-yl]-N-methylmethanamine?
1-[4-chloro-1-methyl-5-(1,3-oxazol-2-yl)pyrazol-3-yl]-N-methylmethanamine has a molecular weight of 226.67 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-1-methyl-5-(1,3-oxazol-2-yl)pyrazol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 71081573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).