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

C10H14N4OS — CID 106926425

IUPAC1-[1,3-dimethyl-5-(1,3-oxazol-2-ylsulfanyl)pyrazol-4-yl]-N-methylmethanamine
SMILESCNCc1c(C)nn(C)c1Sc1ncco1
InChIInChI=1S/C10H14N4OS/c1-7-8(6-11-2)9(14(3)13-7)16-10-12-4-5-15-10/h4-5,11H,6H2,1-3H3
InChIKeyJJAHLJXWAZAOAM-UHFFFAOYSA-N
MW238.32 g/mol
LogP1.59
Rot. Bonds4

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

1-[1,3-dimethyl-5-(1,3-oxazol-2-ylsulfanyl)pyrazol-4-yl]-N-methylmethanamine (PubChem CID 106926425) has the molecular formula C10H14N4OS and a molecular weight of 238.32 g/mol. Its IUPAC name is 1-[1,3-dimethyl-5-(1,3-oxazol-2-ylsulfanyl)pyrazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1,3-dimethyl-5-(1,3-oxazol-2-ylsulfanyl)pyrazol-4-yl]-N-methylmethanamine
PubChem CID106926425
Molecular FormulaC10H14N4OS
Molecular Weight238.32 g/mol
Exact Mass238.09
IUPAC Name1-[1,3-dimethyl-5-(1,3-oxazol-2-ylsulfanyl)pyrazol-4-yl]-N-methylmethanamine
SMILESCNCc1c(C)nn(C)c1Sc1ncco1
InChIInChI=1S/C10H14N4OS/c1-7-8(6-11-2)9(14(3)13-7)16-10-12-4-5-15-10/h4-5,11H,6H2,1-3H3
InChIKeyJJAHLJXWAZAOAM-UHFFFAOYSA-N
XLogP1.59
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1,3-dimethyl-5-(1,3-oxazol-2-ylsulfanyl)pyrazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1,3-dimethyl-5-(1,3-oxazol-2-ylsulfanyl)pyrazol-4-yl]-N-methylmethanamine (CID 106926425) is 1-[1,3-dimethyl-5-(1,3-oxazol-2-ylsulfanyl)pyrazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1,3-dimethyl-5-(1,3-oxazol-2-ylsulfanyl)pyrazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1,3-dimethyl-5-(1,3-oxazol-2-ylsulfanyl)pyrazol-4-yl]-N-methylmethanamine is CNCc1c(C)nn(C)c1Sc1ncco1.
What is the InChIKey of 1-[1,3-dimethyl-5-(1,3-oxazol-2-ylsulfanyl)pyrazol-4-yl]-N-methylmethanamine?
The InChIKey is JJAHLJXWAZAOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4OS/c1-7-8(6-11-2)9(14(3)13-7)16-10-12-4-5-15-10/h4-5,11H,6H2,1-3H3.
What are the key properties of 1-[1,3-dimethyl-5-(1,3-oxazol-2-ylsulfanyl)pyrazol-4-yl]-N-methylmethanamine?
1-[1,3-dimethyl-5-(1,3-oxazol-2-ylsulfanyl)pyrazol-4-yl]-N-methylmethanamine has a molecular weight of 238.32 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,3-dimethyl-5-(1,3-oxazol-2-ylsulfanyl)pyrazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 106926425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).