3,5-dimethyl-4-phenylsulfanyl-1H-pyrazole

C11H12N2S — CID 703428

IUPAC3,5-dimethyl-4-phenylsulfanyl-1H-pyrazole
SMILESCc1n[nH]c(C)c1Sc1ccccc1
InChIInChI=1S/C11H12N2S/c1-8-11(9(2)13-12-8)14-10-6-4-3-5-7-10/h3-7H,1-2H3,(H,12,13)
InChIKeyAPXWHRBKXVTMIZ-UHFFFAOYSA-N
MW204.30 g/mol
LogP3.18
Rot. Bonds2

About 3,5-dimethyl-4-phenylsulfanyl-1H-pyrazole

3,5-dimethyl-4-phenylsulfanyl-1H-pyrazole (PubChem CID 703428) has the molecular formula C11H12N2S and a molecular weight of 204.30 g/mol. Its IUPAC name is 3,5-dimethyl-4-phenylsulfanyl-1H-pyrazole.

Molecular Properties

Compound Name3,5-dimethyl-4-phenylsulfanyl-1H-pyrazole
PubChem CID703428
Molecular FormulaC11H12N2S
Molecular Weight204.30 g/mol
Exact Mass204.07
IUPAC Name3,5-dimethyl-4-phenylsulfanyl-1H-pyrazole
SMILESCc1n[nH]c(C)c1Sc1ccccc1
InChIInChI=1S/C11H12N2S/c1-8-11(9(2)13-12-8)14-10-6-4-3-5-7-10/h3-7H,1-2H3,(H,12,13)
InChIKeyAPXWHRBKXVTMIZ-UHFFFAOYSA-N
XLogP3.18
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.30
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-Dimethyl-4-[(2-nitrophenyl)thio]-1H-pyrazole
CID 867786
3,5-dimethyl-4-(4-nitrophenyl)sulfanyl-1H-pyrazole
CID 723032
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]aniline
CID 703197
4-[(4-chlorophenyl)thio]-3,5-dimethyl-1H-pyrazole
CID 723106
3,5-Dimethyl-4-P-tolylsulfanyl-1H-pyrazole
CID 746386
4-[(benzenesulfonyl)methyl]-3,5-dimethyl-1H-pyrazole
CID 1486442
3-[(4-chlorophenyl)sulfanyl-difluoromethyl]-5-methyl-1H-pyrazole
CID 2745438
4-(4-Bromophenylthio)-3,5-dimethyl-1H-pyrazole
CID 4421210
3-methylsulfanyl-5-phenyl-1H-pyrazole
CID 4292763
3-methyl-5-phenyl-4-(phenylthio)-1H-pyrazole
CID 2062407
4-(Phenylsulfanylmethyl)-3,5-dimethyl-1h-pyrazole
CID 129884181
4-(4-fluorophenyl)sulfanyl-3,5-dimethyl-1H-pyrazole
CID 60012079

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-phenylsulfanyl-1H-pyrazole?
The IUPAC name of 3,5-dimethyl-4-phenylsulfanyl-1H-pyrazole (CID 703428) is 3,5-dimethyl-4-phenylsulfanyl-1H-pyrazole.
What is the SMILES notation for 3,5-dimethyl-4-phenylsulfanyl-1H-pyrazole?
The canonical SMILES for 3,5-dimethyl-4-phenylsulfanyl-1H-pyrazole is Cc1n[nH]c(C)c1Sc1ccccc1.
What is the InChIKey of 3,5-dimethyl-4-phenylsulfanyl-1H-pyrazole?
The InChIKey is APXWHRBKXVTMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2S/c1-8-11(9(2)13-12-8)14-10-6-4-3-5-7-10/h3-7H,1-2H3,(H,12,13).
What are the key properties of 3,5-dimethyl-4-phenylsulfanyl-1H-pyrazole?
3,5-dimethyl-4-phenylsulfanyl-1H-pyrazole has a molecular weight of 204.30 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-phenylsulfanyl-1H-pyrazole is sourced from PubChem (CID 703428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).