1-[(5-chlorothiophen-2-yl)methyl]-3,5-dimethylpyrazole

C10H11ClN2S — CID 63812244

IUPAC1-[(5-chlorothiophen-2-yl)methyl]-3,5-dimethylpyrazole
SMILESCc1cc(C)n(Cc2ccc(Cl)s2)n1
InChIInChI=1S/C10H11ClN2S/c1-7-5-8(2)13(12-7)6-9-3-4-10(11)14-9/h3-5H,6H2,1-2H3
InChIKeyURDVWGXUBXACGP-UHFFFAOYSA-N
MW226.73 g/mol
LogP3.26
Rot. Bonds2

About 1-[(5-chlorothiophen-2-yl)methyl]-3,5-dimethylpyrazole

1-[(5-chlorothiophen-2-yl)methyl]-3,5-dimethylpyrazole (PubChem CID 63812244) has the molecular formula C10H11ClN2S and a molecular weight of 226.73 g/mol. Its IUPAC name is 1-[(5-chlorothiophen-2-yl)methyl]-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-[(5-chlorothiophen-2-yl)methyl]-3,5-dimethylpyrazole
PubChem CID63812244
Molecular FormulaC10H11ClN2S
Molecular Weight226.73 g/mol
Exact Mass226.03
IUPAC Name1-[(5-chlorothiophen-2-yl)methyl]-3,5-dimethylpyrazole
SMILESCc1cc(C)n(Cc2ccc(Cl)s2)n1
InChIInChI=1S/C10H11ClN2S/c1-7-5-8(2)13(12-7)6-9-3-4-10(11)14-9/h3-5H,6H2,1-2H3
InChIKeyURDVWGXUBXACGP-UHFFFAOYSA-N
XLogP3.26
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.73
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(5-chlorothiophen-2-yl)methyl]-3,5-dimethylpyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3,5-dimethylpyrazol-1-yl)methyl]aniline;dihydrochloride
CID 45123702
1-(furan-3-ylmethyl)-3,5-dimethylpyrazole
CID 83183212
2-chloro-4-[(3,5-dimethylpyrazol-1-yl)methyl]pyridine
CID 62471489
5-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]thiophene-2-sulfonamide
CID 22207528
1-[(2-chloro-5-fluorophenyl)methyl]-3,5-dimethylpyrazole
CID 102620265
4-[(3,5-dimethylpyrazol-1-yl)methyl]benzaldehyde
CID 166920797
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-phenylphenyl)thiophene-2-carboxamide
CID 164624996
N-[[1-[(5-chlorothiophen-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine
CID 43647937
1-ethyl-3,5-dimethylpyrazole
CID 565993
(5-chlorothiophen-2-yl)-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 52907395
1-[(5-chlorothiophen-2-yl)methyl]-1,2,4-triazol-3-amine
CID 60911732
4-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-yl]morpholine
CID 1481542

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]-3,5-dimethylpyrazole?
The IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]-3,5-dimethylpyrazole (CID 63812244) is 1-[(5-chlorothiophen-2-yl)methyl]-3,5-dimethylpyrazole.
What is the SMILES notation for 1-[(5-chlorothiophen-2-yl)methyl]-3,5-dimethylpyrazole?
The canonical SMILES for 1-[(5-chlorothiophen-2-yl)methyl]-3,5-dimethylpyrazole is Cc1cc(C)n(Cc2ccc(Cl)s2)n1.
What is the InChIKey of 1-[(5-chlorothiophen-2-yl)methyl]-3,5-dimethylpyrazole?
The InChIKey is URDVWGXUBXACGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2S/c1-7-5-8(2)13(12-7)6-9-3-4-10(11)14-9/h3-5H,6H2,1-2H3.
What are the key properties of 1-[(5-chlorothiophen-2-yl)methyl]-3,5-dimethylpyrazole?
1-[(5-chlorothiophen-2-yl)methyl]-3,5-dimethylpyrazole has a molecular weight of 226.73 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chlorothiophen-2-yl)methyl]-3,5-dimethylpyrazole is sourced from PubChem (CID 63812244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).