1-(chloromethyl)-5-propan-2-yl-3-thiophen-2-ylpyrazole

C11H13ClN2S — CID 121211921

IUPAC1-(chloromethyl)-5-propan-2-yl-3-thiophen-2-ylpyrazole
SMILESCC(C)c1cc(-c2cccs2)nn1CCl
InChIInChI=1S/C11H13ClN2S/c1-8(2)10-6-9(13-14(10)7-12)11-4-3-5-15-11/h3-6,8H,7H2,1-2H3
InChIKeyZTVZMVQQMHSHFY-UHFFFAOYSA-N
MW240.76 g/mol
LogP3.93
Rot. Bonds3

About 1-(chloromethyl)-5-propan-2-yl-3-thiophen-2-ylpyrazole

1-(chloromethyl)-5-propan-2-yl-3-thiophen-2-ylpyrazole (PubChem CID 121211921) has the molecular formula C11H13ClN2S and a molecular weight of 240.76 g/mol. Its IUPAC name is 1-(chloromethyl)-5-propan-2-yl-3-thiophen-2-ylpyrazole.

Molecular Properties

Compound Name1-(chloromethyl)-5-propan-2-yl-3-thiophen-2-ylpyrazole
PubChem CID121211921
Molecular FormulaC11H13ClN2S
Molecular Weight240.76 g/mol
Exact Mass240.05
IUPAC Name1-(chloromethyl)-5-propan-2-yl-3-thiophen-2-ylpyrazole
SMILESCC(C)c1cc(-c2cccs2)nn1CCl
InChIInChI=1S/C11H13ClN2S/c1-8(2)10-6-9(13-14(10)7-12)11-4-3-5-15-11/h3-6,8H,7H2,1-2H3
InChIKeyZTVZMVQQMHSHFY-UHFFFAOYSA-N
XLogP3.93
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.76
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-(2-methylpropyl)-3-thiophen-2-ylpyrazol-5-yl]methanamine
CID 121211109
4-amino-2-(2-methylpropyl)-6-thiophen-2-ylpyridazin-3-one
CID 82467637
4-(hydroxymethyl)-2-propyl-6-thiophen-2-ylpyridazin-3-one
CID 82446954
1-benzyl-3-thiophen-2-ylpyrazole-5-carboxylic acid
CID 82378437
1,5-dimethyl-3-thiophen-2-ylpyrazole
CID 59635615
7-chloro-5-ethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine
CID 82269997
1-butyl-3-thiophen-2-ylpyrazol-5-amine
CID 61270917
N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-(4-propan-2-ylphenyl)acetamide
CID 121169877
N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-phenylacetamide
CID 121169714
2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)acetonitrile
CID 121214173
2-chloro-4-methyl-6-thiophen-2-ylpyridine
CID 142254642
methyl 2-(5-amino-3-thiophen-2-ylpyrazol-1-yl)acetate
CID 121214175

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-5-propan-2-yl-3-thiophen-2-ylpyrazole?
The IUPAC name of 1-(chloromethyl)-5-propan-2-yl-3-thiophen-2-ylpyrazole (CID 121211921) is 1-(chloromethyl)-5-propan-2-yl-3-thiophen-2-ylpyrazole.
What is the SMILES notation for 1-(chloromethyl)-5-propan-2-yl-3-thiophen-2-ylpyrazole?
The canonical SMILES for 1-(chloromethyl)-5-propan-2-yl-3-thiophen-2-ylpyrazole is CC(C)c1cc(-c2cccs2)nn1CCl.
What is the InChIKey of 1-(chloromethyl)-5-propan-2-yl-3-thiophen-2-ylpyrazole?
The InChIKey is ZTVZMVQQMHSHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2S/c1-8(2)10-6-9(13-14(10)7-12)11-4-3-5-15-11/h3-6,8H,7H2,1-2H3.
What are the key properties of 1-(chloromethyl)-5-propan-2-yl-3-thiophen-2-ylpyrazole?
1-(chloromethyl)-5-propan-2-yl-3-thiophen-2-ylpyrazole has a molecular weight of 240.76 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-5-propan-2-yl-3-thiophen-2-ylpyrazole is sourced from PubChem (CID 121211921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).