3-(2,4-dimethylpiperidine-1-carbonyl)-5-ethyl-1H-pyrazole-4-sulfonyl chloride

C13H20ClN3O3S — CID 65395863

IUPAC3-(2,4-dimethylpiperidine-1-carbonyl)-5-ethyl-1H-pyrazole-4-sulfonyl chloride
SMILESCCc1[nH]nc(C(=O)N2CCC(C)CC2C)c1S(=O)(=O)Cl
InChIInChI=1S/C13H20ClN3O3S/c1-4-10-12(21(14,19)20)11(16-15-10)13(18)17-6-5-8(2)7-9(17)3/h8-9H,4-7H2,1-3H3,(H,15,16)
InChIKeyKEQUJDGSPOEPFQ-UHFFFAOYSA-N
MW333.84 g/mol
LogP2.16
Rot. Bonds3

About 3-(2,4-dimethylpiperidine-1-carbonyl)-5-ethyl-1H-pyrazole-4-sulfonyl chloride

3-(2,4-dimethylpiperidine-1-carbonyl)-5-ethyl-1H-pyrazole-4-sulfonyl chloride (PubChem CID 65395863) has the molecular formula C13H20ClN3O3S and a molecular weight of 333.84 g/mol. Its IUPAC name is 3-(2,4-dimethylpiperidine-1-carbonyl)-5-ethyl-1H-pyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name3-(2,4-dimethylpiperidine-1-carbonyl)-5-ethyl-1H-pyrazole-4-sulfonyl chloride
PubChem CID65395863
Molecular FormulaC13H20ClN3O3S
Molecular Weight333.84 g/mol
Exact Mass333.09
IUPAC Name3-(2,4-dimethylpiperidine-1-carbonyl)-5-ethyl-1H-pyrazole-4-sulfonyl chloride
SMILESCCc1[nH]nc(C(=O)N2CCC(C)CC2C)c1S(=O)(=O)Cl
InChIInChI=1S/C13H20ClN3O3S/c1-4-10-12(21(14,19)20)11(16-15-10)13(18)17-6-5-8(2)7-9(17)3/h8-9H,4-7H2,1-3H3,(H,15,16)
InChIKeyKEQUJDGSPOEPFQ-UHFFFAOYSA-N
XLogP2.16
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.84
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-3-[(3-methylcyclopentyl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride
CID 114551498
5-ethyl-3-(2-methylazepane-1-carbonyl)-1H-pyrazole-4-sulfonamide
CID 65386964
5-ethyl-3-(morpholine-4-carbonyl)-1H-pyrazole-4-sulfonyl chloride
CID 65371213
3-(cyclopentylmethylcarbamoyl)-5-ethyl-1H-pyrazole-4-sulfonyl chloride
CID 65372466
5-ethyl-3-[(2-methyloxolan-3-yl)carbamoyl]-1H-pyrazole-4-sulfonyl chloride
CID 82736008
5-ethyl-3-(2-ethylpiperidine-1-carbonyl)-1H-pyrazole-4-sulfonamide
CID 65386781
5-ethyl-3-[(2-methylcyclopentyl)methylcarbamoyl]-1H-pyrazole-4-sulfonyl chloride
CID 107421001
2-methoxyethyl 4-chlorosulfonyl-5-ethyl-1H-pyrazole-3-carboxylate
CID 65373730
3-(piperidine-1-carbonyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride
CID 65367198
butyl 4-chlorosulfonyl-5-ethyl-1H-pyrazole-3-carboxylate
CID 65396345
oxetan-3-yl 4-chlorosulfonyl-5-ethyl-1H-pyrazole-3-carboxylate
CID 102608546
3-[cyclobutylmethyl(ethyl)carbamoyl]-5-ethyl-1H-pyrazole-4-sulfonyl chloride
CID 107402583

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylpiperidine-1-carbonyl)-5-ethyl-1H-pyrazole-4-sulfonyl chloride?
The IUPAC name of 3-(2,4-dimethylpiperidine-1-carbonyl)-5-ethyl-1H-pyrazole-4-sulfonyl chloride (CID 65395863) is 3-(2,4-dimethylpiperidine-1-carbonyl)-5-ethyl-1H-pyrazole-4-sulfonyl chloride.
What is the SMILES notation for 3-(2,4-dimethylpiperidine-1-carbonyl)-5-ethyl-1H-pyrazole-4-sulfonyl chloride?
The canonical SMILES for 3-(2,4-dimethylpiperidine-1-carbonyl)-5-ethyl-1H-pyrazole-4-sulfonyl chloride is CCc1[nH]nc(C(=O)N2CCC(C)CC2C)c1S(=O)(=O)Cl.
What is the InChIKey of 3-(2,4-dimethylpiperidine-1-carbonyl)-5-ethyl-1H-pyrazole-4-sulfonyl chloride?
The InChIKey is KEQUJDGSPOEPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O3S/c1-4-10-12(21(14,19)20)11(16-15-10)13(18)17-6-5-8(2)7-9(17)3/h8-9H,4-7H2,1-3H3,(H,15,16).
What are the key properties of 3-(2,4-dimethylpiperidine-1-carbonyl)-5-ethyl-1H-pyrazole-4-sulfonyl chloride?
3-(2,4-dimethylpiperidine-1-carbonyl)-5-ethyl-1H-pyrazole-4-sulfonyl chloride has a molecular weight of 333.84 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylpiperidine-1-carbonyl)-5-ethyl-1H-pyrazole-4-sulfonyl chloride is sourced from PubChem (CID 65395863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).