1-ethyl-3-(ethylsulfanylmethyl)-4-methylpyrazole

C9H16N2S — CID 151237924

IUPAC1-ethyl-3-(ethylsulfanylmethyl)-4-methylpyrazole
SMILESCCSCc1nn(CC)cc1C
InChIInChI=1S/C9H16N2S/c1-4-11-6-8(3)9(10-11)7-12-5-2/h6H,4-5,7H2,1-3H3
InChIKeyNPROGYUTEIZTLA-UHFFFAOYSA-N
MW184.31 g/mol
LogP2.46
Rot. Bonds4

About 1-ethyl-3-(ethylsulfanylmethyl)-4-methylpyrazole

1-ethyl-3-(ethylsulfanylmethyl)-4-methylpyrazole (PubChem CID 151237924) has the molecular formula C9H16N2S and a molecular weight of 184.31 g/mol. Its IUPAC name is 1-ethyl-3-(ethylsulfanylmethyl)-4-methylpyrazole.

Molecular Properties

Compound Name1-ethyl-3-(ethylsulfanylmethyl)-4-methylpyrazole
PubChem CID151237924
Molecular FormulaC9H16N2S
Molecular Weight184.31 g/mol
Exact Mass184.10
IUPAC Name1-ethyl-3-(ethylsulfanylmethyl)-4-methylpyrazole
SMILESCCSCc1nn(CC)cc1C
InChIInChI=1S/C9H16N2S/c1-4-11-6-8(3)9(10-11)7-12-5-2/h6H,4-5,7H2,1-3H3
InChIKeyNPROGYUTEIZTLA-UHFFFAOYSA-N
XLogP2.46
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(NE)-N-[(5-methyl-1-propylpyrazol-4-yl)methylidene]hydroxylamine
CID 6886586
(1-ethyl-3-methyl-1H-pyrazol-4-yl)methylamine
CID 578961
1-Ethyl-3-methyl-1H-pyrazole-4-carbaldehyde oxime
CID 6885154
(5-methyl-1-(2-methylpropyl)-1H-pyrazol-4-yl)methanamine
CID 60866655
(1-ethyl-5-methyl-1H-pyrazol-4-yl)methanamine
CID 7022221
((1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl)(methyl)amine
CID 7175814
(cyclopropylmethyl){[3-methyl-1-(2-thiomorpholin-4-ylethyl)-1H-pyrazol-4-yl]methyl}amine
CID 50963716
(1,3-dimethyl-1H-pyrazol-4-yl)methanamine
CID 1257622
(1-Ethyl-3-methyl-1H-pyrazol-4-ylmethyl)-methyl-amine
CID 6487607
1,3,4-Trimethylpyrazole
CID 2733984
1,4,5-Trimethylpyrazole
CID 12115801
[5-methyl-1-(propan-2-yl)-1H-pyrazol-4-yl]methanamine
CID 23005613

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(ethylsulfanylmethyl)-4-methylpyrazole?
The IUPAC name of 1-ethyl-3-(ethylsulfanylmethyl)-4-methylpyrazole (CID 151237924) is 1-ethyl-3-(ethylsulfanylmethyl)-4-methylpyrazole.
What is the SMILES notation for 1-ethyl-3-(ethylsulfanylmethyl)-4-methylpyrazole?
The canonical SMILES for 1-ethyl-3-(ethylsulfanylmethyl)-4-methylpyrazole is CCSCc1nn(CC)cc1C.
What is the InChIKey of 1-ethyl-3-(ethylsulfanylmethyl)-4-methylpyrazole?
The InChIKey is NPROGYUTEIZTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2S/c1-4-11-6-8(3)9(10-11)7-12-5-2/h6H,4-5,7H2,1-3H3.
What are the key properties of 1-ethyl-3-(ethylsulfanylmethyl)-4-methylpyrazole?
1-ethyl-3-(ethylsulfanylmethyl)-4-methylpyrazole has a molecular weight of 184.31 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(ethylsulfanylmethyl)-4-methylpyrazole is sourced from PubChem (CID 151237924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).