4-chloro-1-ethyl-N-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]pyrazole-3-carboxamide

C14H23ClN4O4S — CID 75537864

IUPAC4-chloro-1-ethyl-N-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]pyrazole-3-carboxamide
SMILESCCn1cc(Cl)c(C(=O)NC2CCN(S(=O)(=O)CCOC)CC2)n1
InChIInChI=1S/C14H23ClN4O4S/c1-3-18-10-12(15)13(17-18)14(20)16-11-4-6-19(7-5-11)24(21,22)9-8-23-2/h10-11H,3-9H2,1-2H3,(H,16,20)
InChIKeyJAZROFUBVKYLIX-UHFFFAOYSA-N
MW378.88 g/mol
LogP0.73
Rot. Bonds7

About 4-chloro-1-ethyl-N-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]pyrazole-3-carboxamide

4-chloro-1-ethyl-N-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]pyrazole-3-carboxamide (PubChem CID 75537864) has the molecular formula C14H23ClN4O4S and a molecular weight of 378.88 g/mol. Its IUPAC name is 4-chloro-1-ethyl-N-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-1-ethyl-N-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]pyrazole-3-carboxamide
PubChem CID75537864
Molecular FormulaC14H23ClN4O4S
Molecular Weight378.88 g/mol
Exact Mass378.11
IUPAC Name4-chloro-1-ethyl-N-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]pyrazole-3-carboxamide
SMILESCCn1cc(Cl)c(C(=O)NC2CCN(S(=O)(=O)CCOC)CC2)n1
InChIInChI=1S/C14H23ClN4O4S/c1-3-18-10-12(15)13(17-18)14(20)16-11-4-6-19(7-5-11)24(21,22)9-8-23-2/h10-11H,3-9H2,1-2H3,(H,16,20)
InChIKeyJAZROFUBVKYLIX-UHFFFAOYSA-N
XLogP0.73
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.88
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-2-methylpropanamide
CID 75537886
N-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]furan-2-carboxamide
CID 75537873
4-chloro-N-(cyclobutylmethyl)-1-ethylpyrazole-3-carboxamide
CID 95756461
4,5-dichloro-2-[[1-(2-methoxyethylsulfonyl)piperidin-4-yl]amino]phenol
CID 175764569
4-chloro-1-(2-methoxyethylsulfonyl)piperidine
CID 63396714
N-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]-6-oxo-1-phenylpyridine-3-carboxamide
CID 91954882
6-chloro-N-(1-ethylsulfonylpiperidin-4-yl)pyridazine-3-carboxamide
CID 61249649
2-chloro-N-(1-propylsulfonylpiperidin-4-yl)acetamide
CID 43425928
3-chloro-N-(1-propylsulfonylpiperidin-4-yl)benzamide
CID 110823059
2-methoxyethyl 2,4-dimethyl-5-[(1-propylsulfonylpiperidin-4-yl)carbamoyl]-1H-pyrrole-3-carboxylate
CID 55722013
3-(4-methylphenyl)-N-(1-propylsulfonylpiperidin-4-yl)-1,2-oxazole-5-carboxamide
CID 46480197
4-chloro-N-cyclopentyl-1-methylpyrazole-3-carboxamide
CID 891856

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-ethyl-N-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]pyrazole-3-carboxamide?
The IUPAC name of 4-chloro-1-ethyl-N-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]pyrazole-3-carboxamide (CID 75537864) is 4-chloro-1-ethyl-N-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-1-ethyl-N-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]pyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-1-ethyl-N-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]pyrazole-3-carboxamide is CCn1cc(Cl)c(C(=O)NC2CCN(S(=O)(=O)CCOC)CC2)n1.
What is the InChIKey of 4-chloro-1-ethyl-N-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]pyrazole-3-carboxamide?
The InChIKey is JAZROFUBVKYLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN4O4S/c1-3-18-10-12(15)13(17-18)14(20)16-11-4-6-19(7-5-11)24(21,22)9-8-23-2/h10-11H,3-9H2,1-2H3,(H,16,20).
What are the key properties of 4-chloro-1-ethyl-N-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]pyrazole-3-carboxamide?
4-chloro-1-ethyl-N-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]pyrazole-3-carboxamide has a molecular weight of 378.88 g/mol, XLogP of 0.73, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-ethyl-N-[1-(2-methoxyethylsulfonyl)piperidin-4-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 75537864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).