3-(piperidine-1-carbonyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride

C12H18ClN3O3S — CID 65367198

IUPAC3-(piperidine-1-carbonyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride
SMILESCCCc1[nH]nc(C(=O)N2CCCCC2)c1S(=O)(=O)Cl
InChIInChI=1S/C12H18ClN3O3S/c1-2-6-9-11(20(13,18)19)10(15-14-9)12(17)16-7-4-3-5-8-16/h2-8H2,1H3,(H,14,15)
InChIKeyBGVWSJAWSIAOKU-UHFFFAOYSA-N
MW319.81 g/mol
LogP1.92
Rot. Bonds4

About 3-(piperidine-1-carbonyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride

3-(piperidine-1-carbonyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride (PubChem CID 65367198) has the molecular formula C12H18ClN3O3S and a molecular weight of 319.81 g/mol. Its IUPAC name is 3-(piperidine-1-carbonyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name3-(piperidine-1-carbonyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride
PubChem CID65367198
Molecular FormulaC12H18ClN3O3S
Molecular Weight319.81 g/mol
Exact Mass319.08
IUPAC Name3-(piperidine-1-carbonyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride
SMILESCCCc1[nH]nc(C(=O)N2CCCCC2)c1S(=O)(=O)Cl
InChIInChI=1S/C12H18ClN3O3S/c1-2-6-9-11(20(13,18)19)10(15-14-9)12(17)16-7-4-3-5-8-16/h2-8H2,1H3,(H,14,15)
InChIKeyBGVWSJAWSIAOKU-UHFFFAOYSA-N
XLogP1.92
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.81
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(azepane-1-carbonyl)-5-methyl-1H-pyrazole-4-sulfonyl chloride
CID 65367872
3-(piperidine-1-carbonyl)-5-propan-2-yl-1H-pyrazole-4-sulfonyl chloride
CID 65367147
5-ethyl-3-(morpholine-4-carbonyl)-1H-pyrazole-4-sulfonyl chloride
CID 65371213
3-(cyclohexylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride
CID 65367058
3-(2,2-difluoroethylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride
CID 113304100
3-(butan-2-ylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride
CID 65368759
3-[cyclopropyl(propyl)carbamoyl]-5-propyl-1H-pyrazole-4-sulfonyl chloride
CID 65370323
(4-amino-5-ethyl-1H-pyrazol-3-yl)-(azocan-1-yl)methanone
CID 62082506
3-(azocane-1-carbonyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 65374466
(4-amino-5-ethyl-1H-pyrazol-3-yl)-piperidin-1-ylmethanone
CID 55211374
3-(2,2-dimethylbutylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride
CID 103465535
oxetan-3-yl 4-chlorosulfonyl-5-propyl-1H-pyrazole-3-carboxylate
CID 102608587

Frequently Asked Questions

What is the IUPAC name of 3-(piperidine-1-carbonyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride?
The IUPAC name of 3-(piperidine-1-carbonyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride (CID 65367198) is 3-(piperidine-1-carbonyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride.
What is the SMILES notation for 3-(piperidine-1-carbonyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride?
The canonical SMILES for 3-(piperidine-1-carbonyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride is CCCc1[nH]nc(C(=O)N2CCCCC2)c1S(=O)(=O)Cl.
What is the InChIKey of 3-(piperidine-1-carbonyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride?
The InChIKey is BGVWSJAWSIAOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O3S/c1-2-6-9-11(20(13,18)19)10(15-14-9)12(17)16-7-4-3-5-8-16/h2-8H2,1H3,(H,14,15).
What are the key properties of 3-(piperidine-1-carbonyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride?
3-(piperidine-1-carbonyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride has a molecular weight of 319.81 g/mol, XLogP of 1.92, 4 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-propyl-1H-pyrazole-4-sulfonyl chloride is sourced from PubChem (CID 65367198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).