2-[4-(2-methylcyclopropyl)pyrazol-1-yl]ethyl methanesulfonate

C10H16N2O3S — CID 175848754

IUPAC2-[4-(2-methylcyclopropyl)pyrazol-1-yl]ethyl methanesulfonate
SMILESCC1CC1c1cnn(CCOS(C)(=O)=O)c1
InChIInChI=1S/C10H16N2O3S/c1-8-5-10(8)9-6-11-12(7-9)3-4-15-16(2,13)14/h6-8,10H,3-5H2,1-2H3
InChIKeyDOHBKAPQGCJDAW-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.98
Rot. Bonds5

About 2-[4-(2-methylcyclopropyl)pyrazol-1-yl]ethyl methanesulfonate

2-[4-(2-methylcyclopropyl)pyrazol-1-yl]ethyl methanesulfonate (PubChem CID 175848754) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is 2-[4-(2-methylcyclopropyl)pyrazol-1-yl]ethyl methanesulfonate.

Molecular Properties

Compound Name2-[4-(2-methylcyclopropyl)pyrazol-1-yl]ethyl methanesulfonate
PubChem CID175848754
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Name2-[4-(2-methylcyclopropyl)pyrazol-1-yl]ethyl methanesulfonate
SMILESCC1CC1c1cnn(CCOS(C)(=O)=O)c1
InChIInChI=1S/C10H16N2O3S/c1-8-5-10(8)9-6-11-12(7-9)3-4-15-16(2,13)14/h6-8,10H,3-5H2,1-2H3
InChIKeyDOHBKAPQGCJDAW-UHFFFAOYSA-N
XLogP0.98
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylcyclopropyl)pyrazol-1-yl]ethyl methanesulfonate?
The IUPAC name of 2-[4-(2-methylcyclopropyl)pyrazol-1-yl]ethyl methanesulfonate (CID 175848754) is 2-[4-(2-methylcyclopropyl)pyrazol-1-yl]ethyl methanesulfonate.
What is the SMILES notation for 2-[4-(2-methylcyclopropyl)pyrazol-1-yl]ethyl methanesulfonate?
The canonical SMILES for 2-[4-(2-methylcyclopropyl)pyrazol-1-yl]ethyl methanesulfonate is CC1CC1c1cnn(CCOS(C)(=O)=O)c1.
What is the InChIKey of 2-[4-(2-methylcyclopropyl)pyrazol-1-yl]ethyl methanesulfonate?
The InChIKey is DOHBKAPQGCJDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-8-5-10(8)9-6-11-12(7-9)3-4-15-16(2,13)14/h6-8,10H,3-5H2,1-2H3.
What are the key properties of 2-[4-(2-methylcyclopropyl)pyrazol-1-yl]ethyl methanesulfonate?
2-[4-(2-methylcyclopropyl)pyrazol-1-yl]ethyl methanesulfonate has a molecular weight of 244.32 g/mol, XLogP of 0.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylcyclopropyl)pyrazol-1-yl]ethyl methanesulfonate is sourced from PubChem (CID 175848754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).