(4-chloro-1-ethylpyrazol-5-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone

C14H17ClN4O3S2 — CID 19478969

IUPAC(4-chloro-1-ethylpyrazol-5-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
SMILESCCn1ncc(Cl)c1C(=O)N1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C14H17ClN4O3S2/c1-2-19-13(11(15)10-16-19)14(20)17-5-7-18(8-6-17)24(21,22)12-4-3-9-23-12/h3-4,9-10H,2,5-8H2,1H3
InChIKeyJTQDWTSXPWTMBT-UHFFFAOYSA-N
MW388.90 g/mol
LogP1.76
Rot. Bonds4

About (4-chloro-1-ethylpyrazol-5-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone

(4-chloro-1-ethylpyrazol-5-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone (PubChem CID 19478969) has the molecular formula C14H17ClN4O3S2 and a molecular weight of 388.90 g/mol. Its IUPAC name is (4-chloro-1-ethylpyrazol-5-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-chloro-1-ethylpyrazol-5-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
PubChem CID19478969
Molecular FormulaC14H17ClN4O3S2
Molecular Weight388.90 g/mol
Exact Mass388.04
IUPAC Name(4-chloro-1-ethylpyrazol-5-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
SMILESCCn1ncc(Cl)c1C(=O)N1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C14H17ClN4O3S2/c1-2-19-13(11(15)10-16-19)14(20)17-5-7-18(8-6-17)24(21,22)12-4-3-9-23-12/h3-4,9-10H,2,5-8H2,1H3
InChIKeyJTQDWTSXPWTMBT-UHFFFAOYSA-N
XLogP1.76
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(1-ethylbenzotriazol-5-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 9496380
(4-chloro-1-methylpyrazol-3-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 19279155
[4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 19479111
(6-methyl-3-pyridinyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 18148460
(5-ethylthiophen-3-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 17217513
(4-chloro-1-ethylpyrazol-5-yl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 19478958
methyl 4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)benzoate
CID 9496457
(5-chloro-2-fluorophenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 9086144
(2-chloro-6-fluorophenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 4801929
(2-hydroxyphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 38068353
2-butyl-6-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)pyridazin-3-one
CID 38068227
(3-bromophenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 38068388

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone (CID 19478969) is (4-chloro-1-ethylpyrazol-5-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-chloro-1-ethylpyrazol-5-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for (4-chloro-1-ethylpyrazol-5-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone is CCn1ncc(Cl)c1C(=O)N1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of (4-chloro-1-ethylpyrazol-5-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone?
The InChIKey is JTQDWTSXPWTMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O3S2/c1-2-19-13(11(15)10-16-19)14(20)17-5-7-18(8-6-17)24(21,22)12-4-3-9-23-12/h3-4,9-10H,2,5-8H2,1H3.
What are the key properties of (4-chloro-1-ethylpyrazol-5-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone?
(4-chloro-1-ethylpyrazol-5-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone has a molecular weight of 388.90 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-ethylpyrazol-5-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 19478969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).