3,5-dimethyl-1-(thiophen-3-ylmethyl)pyrazole

C10H12N2S — CID 63810460

IUPAC3,5-dimethyl-1-(thiophen-3-ylmethyl)pyrazole
SMILESCc1cc(C)n(Cc2ccsc2)n1
InChIInChI=1S/C10H12N2S/c1-8-5-9(2)12(11-8)6-10-3-4-13-7-10/h3-5,7H,6H2,1-2H3
InChIKeyQTSSNFHMCYMBTD-UHFFFAOYSA-N
MW192.29 g/mol
LogP2.61
Rot. Bonds2

About 3,5-dimethyl-1-(thiophen-3-ylmethyl)pyrazole

3,5-dimethyl-1-(thiophen-3-ylmethyl)pyrazole (PubChem CID 63810460) has the molecular formula C10H12N2S and a molecular weight of 192.29 g/mol. Its IUPAC name is 3,5-dimethyl-1-(thiophen-3-ylmethyl)pyrazole.

Molecular Properties

Compound Name3,5-dimethyl-1-(thiophen-3-ylmethyl)pyrazole
PubChem CID63810460
Molecular FormulaC10H12N2S
Molecular Weight192.29 g/mol
Exact Mass192.07
IUPAC Name3,5-dimethyl-1-(thiophen-3-ylmethyl)pyrazole
SMILESCc1cc(C)n(Cc2ccsc2)n1
InChIInChI=1S/C10H12N2S/c1-8-5-9(2)12(11-8)6-10-3-4-13-7-10/h3-5,7H,6H2,1-2H3
InChIKeyQTSSNFHMCYMBTD-UHFFFAOYSA-N
XLogP2.61
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.29
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(thiophen-3-ylmethyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 63248119
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 22771349
5-Methyl-1-thiophen-2-yl-3-(trifluoromethyl)pyrazole
CID 174731394
1-(2-Thiophen-3-ylethyl)-3-(trifluoromethyl)pyrazole
CID 116621313
1-(Thiophen-3-ylmethyl)-3-(trifluoromethyl)pyrazole
CID 116621382
5-(azidomethyl)-1-(2-fluoroethyl)-3-(thiophen-3-yl)-1H-pyrazole
CID 121211238
N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 22209479
N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]thiophene-2-sulfonamide
CID 22578599
2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-(4-(thiophen-3-ylmethyl)piperazin-1-yl)ethanone
CID 45799202
N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methylthiophene-2-sulfonamide
CID 46353485
N-methyl-N-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]-2-thiophenesulfonamide
CID 46353486
1-(1,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-(3-thienylmethyl)methanamine
CID 50964030

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-(thiophen-3-ylmethyl)pyrazole?
The IUPAC name of 3,5-dimethyl-1-(thiophen-3-ylmethyl)pyrazole (CID 63810460) is 3,5-dimethyl-1-(thiophen-3-ylmethyl)pyrazole.
What is the SMILES notation for 3,5-dimethyl-1-(thiophen-3-ylmethyl)pyrazole?
The canonical SMILES for 3,5-dimethyl-1-(thiophen-3-ylmethyl)pyrazole is Cc1cc(C)n(Cc2ccsc2)n1.
What is the InChIKey of 3,5-dimethyl-1-(thiophen-3-ylmethyl)pyrazole?
The InChIKey is QTSSNFHMCYMBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S/c1-8-5-9(2)12(11-8)6-10-3-4-13-7-10/h3-5,7H,6H2,1-2H3.
What are the key properties of 3,5-dimethyl-1-(thiophen-3-ylmethyl)pyrazole?
3,5-dimethyl-1-(thiophen-3-ylmethyl)pyrazole has a molecular weight of 192.29 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-(thiophen-3-ylmethyl)pyrazole is sourced from PubChem (CID 63810460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).