4-(chloromethyl)-N,1,3-trimethyl-N-(1,3-thiazol-4-ylmethyl)pyrazol-5-amine

C11H15ClN4S — CID 55011827

IUPAC4-(chloromethyl)-N,1,3-trimethyl-N-(1,3-thiazol-4-ylmethyl)pyrazol-5-amine
SMILESCc1nn(C)c(N(C)Cc2cscn2)c1CCl
InChIInChI=1S/C11H15ClN4S/c1-8-10(4-12)11(16(3)14-8)15(2)5-9-6-17-7-13-9/h6-7H,4-5H2,1-3H3
InChIKeyLBRHCAHDAVMLIO-UHFFFAOYSA-N
MW270.79 g/mol
LogP2.56
Rot. Bonds4

About 4-(chloromethyl)-N,1,3-trimethyl-N-(1,3-thiazol-4-ylmethyl)pyrazol-5-amine

4-(chloromethyl)-N,1,3-trimethyl-N-(1,3-thiazol-4-ylmethyl)pyrazol-5-amine (PubChem CID 55011827) has the molecular formula C11H15ClN4S and a molecular weight of 270.79 g/mol. Its IUPAC name is 4-(chloromethyl)-N,1,3-trimethyl-N-(1,3-thiazol-4-ylmethyl)pyrazol-5-amine.

Molecular Properties

Compound Name4-(chloromethyl)-N,1,3-trimethyl-N-(1,3-thiazol-4-ylmethyl)pyrazol-5-amine
PubChem CID55011827
Molecular FormulaC11H15ClN4S
Molecular Weight270.79 g/mol
Exact Mass270.07
IUPAC Name4-(chloromethyl)-N,1,3-trimethyl-N-(1,3-thiazol-4-ylmethyl)pyrazol-5-amine
SMILESCc1nn(C)c(N(C)Cc2cscn2)c1CCl
InChIInChI=1S/C11H15ClN4S/c1-8-10(4-12)11(16(3)14-8)15(2)5-9-6-17-7-13-9/h6-7H,4-5H2,1-3H3
InChIKeyLBRHCAHDAVMLIO-UHFFFAOYSA-N
XLogP2.56
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.79
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[1,3-dimethyl-5-[methyl(1,3-thiazol-4-ylmethyl)amino]pyrazol-4-yl]methanol
CID 55013920
N,1,3-trimethyl-4-[(2-methylpropylamino)methyl]-N-(1,3-thiazol-4-ylmethyl)pyrazol-5-amine
CID 63072635
4-(chloromethyl)-N,1,3-trimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrazol-5-amine
CID 63013984
N-[(2-bromophenyl)methyl]-4-(chloromethyl)-N,1,3-trimethylpyrazol-5-amine
CID 61416100
3-[[[4-(chloromethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]methyl]benzonitrile
CID 62980819
4-(chloromethyl)-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 62128963
6-chloro-N,5-dimethyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine
CID 63728838
4-(ethylaminomethyl)-N,1,3-trimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazol-5-amine
CID 63837144
4-(chloromethyl)-N-ethyl-1,3-dimethyl-N-(thiophen-2-ylmethyl)pyrazol-5-amine
CID 61437184
2-N,5-dimethyl-2-N-(1,3-thiazol-4-ylmethyl)pyridine-2,3-diamine
CID 66278220
4-(chloromethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)isoquinolin-1-amine
CID 106769123
4-(chloromethyl)-N-ethyl-1,3-dimethyl-N-(pyridin-4-ylmethyl)pyrazol-5-amine
CID 61449270

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N,1,3-trimethyl-N-(1,3-thiazol-4-ylmethyl)pyrazol-5-amine?
The IUPAC name of 4-(chloromethyl)-N,1,3-trimethyl-N-(1,3-thiazol-4-ylmethyl)pyrazol-5-amine (CID 55011827) is 4-(chloromethyl)-N,1,3-trimethyl-N-(1,3-thiazol-4-ylmethyl)pyrazol-5-amine.
What is the SMILES notation for 4-(chloromethyl)-N,1,3-trimethyl-N-(1,3-thiazol-4-ylmethyl)pyrazol-5-amine?
The canonical SMILES for 4-(chloromethyl)-N,1,3-trimethyl-N-(1,3-thiazol-4-ylmethyl)pyrazol-5-amine is Cc1nn(C)c(N(C)Cc2cscn2)c1CCl.
What is the InChIKey of 4-(chloromethyl)-N,1,3-trimethyl-N-(1,3-thiazol-4-ylmethyl)pyrazol-5-amine?
The InChIKey is LBRHCAHDAVMLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4S/c1-8-10(4-12)11(16(3)14-8)15(2)5-9-6-17-7-13-9/h6-7H,4-5H2,1-3H3.
What are the key properties of 4-(chloromethyl)-N,1,3-trimethyl-N-(1,3-thiazol-4-ylmethyl)pyrazol-5-amine?
4-(chloromethyl)-N,1,3-trimethyl-N-(1,3-thiazol-4-ylmethyl)pyrazol-5-amine has a molecular weight of 270.79 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N,1,3-trimethyl-N-(1,3-thiazol-4-ylmethyl)pyrazol-5-amine is sourced from PubChem (CID 55011827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).