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

C12H18N4S — CID 43647650

IUPAC1-[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]-N-methylmethanamine
SMILESCNCc1c(C)nn(Cc2csc(C)n2)c1C
InChIInChI=1S/C12H18N4S/c1-8-12(5-13-4)9(2)16(15-8)6-11-7-17-10(3)14-11/h7,13H,5-6H2,1-4H3
InChIKeyRNCMFSIXLPACOR-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.03
Rot. Bonds4

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

1-[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]-N-methylmethanamine (PubChem CID 43647650) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is 1-[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]-N-methylmethanamine
PubChem CID43647650
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC Name1-[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]-N-methylmethanamine
SMILESCNCc1c(C)nn(Cc2csc(C)n2)c1C
InChIInChI=1S/C12H18N4S/c1-8-12(5-13-4)9(2)16(15-8)6-11-7-17-10(3)14-11/h7,13H,5-6H2,1-4H3
InChIKeyRNCMFSIXLPACOR-UHFFFAOYSA-N
XLogP2.03
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]-N-methylmethanamine (CID 43647650) is 1-[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]-N-methylmethanamine is CNCc1c(C)nn(Cc2csc(C)n2)c1C.
What is the InChIKey of 1-[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]-N-methylmethanamine?
The InChIKey is RNCMFSIXLPACOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-8-12(5-13-4)9(2)16(15-8)6-11-7-17-10(3)14-11/h7,13H,5-6H2,1-4H3.
What are the key properties of 1-[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]-N-methylmethanamine?
1-[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]-N-methylmethanamine has a molecular weight of 250.37 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 43647650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).