3,5-diethyl-1-(3-pyrrolidin-1-ylpropyl)pyrazole-4-sulfonyl chloride

C14H24ClN3O2S — CID 82916570

IUPAC3,5-diethyl-1-(3-pyrrolidin-1-ylpropyl)pyrazole-4-sulfonyl chloride
SMILESCCc1nn(CCCN2CCCC2)c(CC)c1S(=O)(=O)Cl
InChIInChI=1S/C14H24ClN3O2S/c1-3-12-14(21(15,19)20)13(4-2)18(16-12)11-7-10-17-8-5-6-9-17/h3-11H2,1-2H3
InChIKeyPMRTZEBVLRADSO-UHFFFAOYSA-N
MW333.89 g/mol
LogP2.42
Rot. Bonds7

About 3,5-diethyl-1-(3-pyrrolidin-1-ylpropyl)pyrazole-4-sulfonyl chloride

3,5-diethyl-1-(3-pyrrolidin-1-ylpropyl)pyrazole-4-sulfonyl chloride (PubChem CID 82916570) has the molecular formula C14H24ClN3O2S and a molecular weight of 333.89 g/mol. Its IUPAC name is 3,5-diethyl-1-(3-pyrrolidin-1-ylpropyl)pyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name3,5-diethyl-1-(3-pyrrolidin-1-ylpropyl)pyrazole-4-sulfonyl chloride
PubChem CID82916570
Molecular FormulaC14H24ClN3O2S
Molecular Weight333.89 g/mol
Exact Mass333.13
IUPAC Name3,5-diethyl-1-(3-pyrrolidin-1-ylpropyl)pyrazole-4-sulfonyl chloride
SMILESCCc1nn(CCCN2CCCC2)c(CC)c1S(=O)(=O)Cl
InChIInChI=1S/C14H24ClN3O2S/c1-3-12-14(21(15,19)20)13(4-2)18(16-12)11-7-10-17-8-5-6-9-17/h3-11H2,1-2H3
InChIKeyPMRTZEBVLRADSO-UHFFFAOYSA-N
XLogP2.42
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.89
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-diethyl-1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-amine
CID 82702206
1-(3,3-dimethylbutyl)-3,5-diethylpyrazole-4-sulfonyl chloride
CID 82694926
3,5-diethyl-1-(3-methoxy-3-methylbutyl)pyrazole-4-sulfonyl chloride
CID 103036320
3,5-diethyl-1-[(4-methylmorpholin-2-yl)methyl]pyrazole-4-sulfonyl chloride
CID 82912297
1-[[1-(cyanomethyl)cyclopropyl]methyl]-3,5-diethylpyrazole-4-sulfonyl chloride
CID 82914321
3,5-diethyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazole-4-sulfonyl chloride
CID 82876082
1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3,5-diethylpyrazole-4-sulfonyl chloride
CID 82915931
3,5-diethyl-1-(1,2,4-oxadiazol-3-ylmethyl)pyrazole-4-sulfonyl chloride
CID 82914458
3,5-diethyl-1-(2-propan-2-ylsulfonylethyl)pyrazole-4-sulfonamide
CID 106735879
3-(azocan-1-yl)propane-1-sulfonyl chloride
CID 112594604
5-chloro-3-ethyl-1-(2-methylpropyl)pyrazole-4-sulfonyl chloride
CID 82918506
3,5-diethyl-1-(3-ethylsulfonylpropyl)-4-iodopyrazole
CID 82702565

Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-1-(3-pyrrolidin-1-ylpropyl)pyrazole-4-sulfonyl chloride?
The IUPAC name of 3,5-diethyl-1-(3-pyrrolidin-1-ylpropyl)pyrazole-4-sulfonyl chloride (CID 82916570) is 3,5-diethyl-1-(3-pyrrolidin-1-ylpropyl)pyrazole-4-sulfonyl chloride.
What is the SMILES notation for 3,5-diethyl-1-(3-pyrrolidin-1-ylpropyl)pyrazole-4-sulfonyl chloride?
The canonical SMILES for 3,5-diethyl-1-(3-pyrrolidin-1-ylpropyl)pyrazole-4-sulfonyl chloride is CCc1nn(CCCN2CCCC2)c(CC)c1S(=O)(=O)Cl.
What is the InChIKey of 3,5-diethyl-1-(3-pyrrolidin-1-ylpropyl)pyrazole-4-sulfonyl chloride?
The InChIKey is PMRTZEBVLRADSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3O2S/c1-3-12-14(21(15,19)20)13(4-2)18(16-12)11-7-10-17-8-5-6-9-17/h3-11H2,1-2H3.
What are the key properties of 3,5-diethyl-1-(3-pyrrolidin-1-ylpropyl)pyrazole-4-sulfonyl chloride?
3,5-diethyl-1-(3-pyrrolidin-1-ylpropyl)pyrazole-4-sulfonyl chloride has a molecular weight of 333.89 g/mol, XLogP of 2.42, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-1-(3-pyrrolidin-1-ylpropyl)pyrazole-4-sulfonyl chloride is sourced from PubChem (CID 82916570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).