3-(piperidine-1-carbonyl)-5-propan-2-yl-1H-pyrazole-4-sulfonyl chloride

C12H18ClN3O3S — CID 65367147

IUPAC3-(piperidine-1-carbonyl)-5-propan-2-yl-1H-pyrazole-4-sulfonyl chloride
SMILESCC(C)c1[nH]nc(C(=O)N2CCCCC2)c1S(=O)(=O)Cl
InChIInChI=1S/C12H18ClN3O3S/c1-8(2)9-11(20(13,18)19)10(15-14-9)12(17)16-6-4-3-5-7-16/h8H,3-7H2,1-2H3,(H,14,15)
InChIKeyQQLBZRKGPADUPL-UHFFFAOYSA-N
MW319.81 g/mol
LogP2.09
Rot. Bonds3

About 3-(piperidine-1-carbonyl)-5-propan-2-yl-1H-pyrazole-4-sulfonyl chloride

3-(piperidine-1-carbonyl)-5-propan-2-yl-1H-pyrazole-4-sulfonyl chloride (PubChem CID 65367147) has the molecular formula C12H18ClN3O3S and a molecular weight of 319.81 g/mol. Its IUPAC name is 3-(piperidine-1-carbonyl)-5-propan-2-yl-1H-pyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name3-(piperidine-1-carbonyl)-5-propan-2-yl-1H-pyrazole-4-sulfonyl chloride
PubChem CID65367147
Molecular FormulaC12H18ClN3O3S
Molecular Weight319.81 g/mol
Exact Mass319.08
IUPAC Name3-(piperidine-1-carbonyl)-5-propan-2-yl-1H-pyrazole-4-sulfonyl chloride
SMILESCC(C)c1[nH]nc(C(=O)N2CCCCC2)c1S(=O)(=O)Cl
InChIInChI=1S/C12H18ClN3O3S/c1-8(2)9-11(20(13,18)19)10(15-14-9)12(17)16-6-4-3-5-7-16/h8H,3-7H2,1-2H3,(H,14,15)
InChIKeyQQLBZRKGPADUPL-UHFFFAOYSA-N
XLogP2.09
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.81
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(piperidine-1-carbonyl)-5-propan-2-yl-1H-pyrazole-4-sulfonyl chloride?
The IUPAC name of 3-(piperidine-1-carbonyl)-5-propan-2-yl-1H-pyrazole-4-sulfonyl chloride (CID 65367147) is 3-(piperidine-1-carbonyl)-5-propan-2-yl-1H-pyrazole-4-sulfonyl chloride.
What is the SMILES notation for 3-(piperidine-1-carbonyl)-5-propan-2-yl-1H-pyrazole-4-sulfonyl chloride?
The canonical SMILES for 3-(piperidine-1-carbonyl)-5-propan-2-yl-1H-pyrazole-4-sulfonyl chloride is CC(C)c1[nH]nc(C(=O)N2CCCCC2)c1S(=O)(=O)Cl.
What is the InChIKey of 3-(piperidine-1-carbonyl)-5-propan-2-yl-1H-pyrazole-4-sulfonyl chloride?
The InChIKey is QQLBZRKGPADUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O3S/c1-8(2)9-11(20(13,18)19)10(15-14-9)12(17)16-6-4-3-5-7-16/h8H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 3-(piperidine-1-carbonyl)-5-propan-2-yl-1H-pyrazole-4-sulfonyl chloride?
3-(piperidine-1-carbonyl)-5-propan-2-yl-1H-pyrazole-4-sulfonyl chloride has a molecular weight of 319.81 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperidine-1-carbonyl)-5-propan-2-yl-1H-pyrazole-4-sulfonyl chloride is sourced from PubChem (CID 65367147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).