1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]cyclopropane-1-sulfonyl chloride

C10H15ClN2O2S — CID 165496954

IUPAC1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]cyclopropane-1-sulfonyl chloride
SMILESCCn1nc(C)cc1CC1(S(=O)(=O)Cl)CC1
InChIInChI=1S/C10H15ClN2O2S/c1-3-13-9(6-8(2)12-13)7-10(4-5-10)16(11,14)15/h6H,3-5,7H2,1-2H3
InChIKeyIAHHNIQUFPQWAP-UHFFFAOYSA-N
MW262.76 g/mol
LogP1.86
Rot. Bonds4

About 1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]cyclopropane-1-sulfonyl chloride

1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]cyclopropane-1-sulfonyl chloride (PubChem CID 165496954) has the molecular formula C10H15ClN2O2S and a molecular weight of 262.76 g/mol. Its IUPAC name is 1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]cyclopropane-1-sulfonyl chloride.

Molecular Properties

Compound Name1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]cyclopropane-1-sulfonyl chloride
PubChem CID165496954
Molecular FormulaC10H15ClN2O2S
Molecular Weight262.76 g/mol
Exact Mass262.05
IUPAC Name1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]cyclopropane-1-sulfonyl chloride
SMILESCCn1nc(C)cc1CC1(S(=O)(=O)Cl)CC1
InChIInChI=1S/C10H15ClN2O2S/c1-3-13-9(6-8(2)12-13)7-10(4-5-10)16(11,14)15/h6H,3-5,7H2,1-2H3
InChIKeyIAHHNIQUFPQWAP-UHFFFAOYSA-N
XLogP1.86
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.76
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]cyclopropane-1-sulfonyl chloride?
The IUPAC name of 1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]cyclopropane-1-sulfonyl chloride (CID 165496954) is 1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]cyclopropane-1-sulfonyl chloride.
What is the SMILES notation for 1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]cyclopropane-1-sulfonyl chloride?
The canonical SMILES for 1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]cyclopropane-1-sulfonyl chloride is CCn1nc(C)cc1CC1(S(=O)(=O)Cl)CC1.
What is the InChIKey of 1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]cyclopropane-1-sulfonyl chloride?
The InChIKey is IAHHNIQUFPQWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O2S/c1-3-13-9(6-8(2)12-13)7-10(4-5-10)16(11,14)15/h6H,3-5,7H2,1-2H3.
What are the key properties of 1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]cyclopropane-1-sulfonyl chloride?
1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]cyclopropane-1-sulfonyl chloride has a molecular weight of 262.76 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]cyclopropane-1-sulfonyl chloride is sourced from PubChem (CID 165496954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).