3,5-dicyclopropyl-1-sulfanylpyrazole

C9H12N2S — CID 123679833

IUPAC3,5-dicyclopropyl-1-sulfanylpyrazole
SMILESSn1nc(C2CC2)cc1C1CC1
InChIInChI=1S/C9H12N2S/c12-11-9(7-3-4-7)5-8(10-11)6-1-2-6/h5-7,12H,1-4H2
InChIKeyFYOMMFYODZQGOO-UHFFFAOYSA-N
MW180.28 g/mol
LogP2.33
Rot. Bonds2

About 3,5-dicyclopropyl-1-sulfanylpyrazole

3,5-dicyclopropyl-1-sulfanylpyrazole (PubChem CID 123679833) has the molecular formula C9H12N2S and a molecular weight of 180.28 g/mol. Its IUPAC name is 3,5-dicyclopropyl-1-sulfanylpyrazole.

Molecular Properties

Compound Name3,5-dicyclopropyl-1-sulfanylpyrazole
PubChem CID123679833
Molecular FormulaC9H12N2S
Molecular Weight180.28 g/mol
Exact Mass180.07
IUPAC Name3,5-dicyclopropyl-1-sulfanylpyrazole
SMILESSn1nc(C2CC2)cc1C1CC1
InChIInChI=1S/C9H12N2S/c12-11-9(7-3-4-7)5-8(10-11)6-1-2-6/h5-7,12H,1-4H2
InChIKeyFYOMMFYODZQGOO-UHFFFAOYSA-N
XLogP2.33
TPSA17.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.28
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3,5-dicyclopropyl-1-(difluoromethyl)pyrazole
CID 121211996
3-cyclopropyl-5-methyl-1-propan-2-ylpyrazole
CID 122521943
N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]methanesulfonamide
CID 72718788
3-(3-cyclopropyl-1-methylpyrazol-5-yl)piperidine
CID 83833173
3-cyclopropyl-5-iodo-1-propan-2-ylpyrazole
CID 139331075
2,7-dicyclopropylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 71683769
tert-butyl 5-amino-3-cyclopropylpyrazole-1-carboxylate
CID 11356513
3-cyclooctyl-1-methylpyrazol-5-amine
CID 65018284
3-cyclopropyl-1-(2-methoxyethyl)pyrazol-5-amine
CID 118340914
5-cyclopropyl-1-methylpyrazol-3-amine
CID 25248190
5-amino-3-cyclopropyl-N,N-dimethylpyrazole-1-sulfonamide
CID 166164865
1-cyclohexyl-3-cyclopropyl-5-methylpyrazole
CID 139341921

Frequently Asked Questions

What is the IUPAC name of 3,5-dicyclopropyl-1-sulfanylpyrazole?
The IUPAC name of 3,5-dicyclopropyl-1-sulfanylpyrazole (CID 123679833) is 3,5-dicyclopropyl-1-sulfanylpyrazole.
What is the SMILES notation for 3,5-dicyclopropyl-1-sulfanylpyrazole?
The canonical SMILES for 3,5-dicyclopropyl-1-sulfanylpyrazole is Sn1nc(C2CC2)cc1C1CC1.
What is the InChIKey of 3,5-dicyclopropyl-1-sulfanylpyrazole?
The InChIKey is FYOMMFYODZQGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2S/c12-11-9(7-3-4-7)5-8(10-11)6-1-2-6/h5-7,12H,1-4H2.
What are the key properties of 3,5-dicyclopropyl-1-sulfanylpyrazole?
3,5-dicyclopropyl-1-sulfanylpyrazole has a molecular weight of 180.28 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dicyclopropyl-1-sulfanylpyrazole is sourced from PubChem (CID 123679833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).