1-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-4-cyclohexylpiperazine

C14H23ClN4O2S — CID 155950524

IUPAC1-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-4-cyclohexylpiperazine
SMILESCn1ncc(Cl)c1S(=O)(=O)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C14H23ClN4O2S/c1-17-14(13(15)11-16-17)22(20,21)19-9-7-18(8-10-19)12-5-3-2-4-6-12/h11-12H,2-10H2,1H3
InChIKeyRBOYRVVEFOZUFW-UHFFFAOYSA-N
MW346.88 g/mol
LogP1.71
Rot. Bonds3

About 1-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-4-cyclohexylpiperazine

1-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-4-cyclohexylpiperazine (PubChem CID 155950524) has the molecular formula C14H23ClN4O2S and a molecular weight of 346.88 g/mol. Its IUPAC name is 1-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-4-cyclohexylpiperazine.

Molecular Properties

Compound Name1-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-4-cyclohexylpiperazine
PubChem CID155950524
Molecular FormulaC14H23ClN4O2S
Molecular Weight346.88 g/mol
Exact Mass346.12
IUPAC Name1-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-4-cyclohexylpiperazine
SMILESCn1ncc(Cl)c1S(=O)(=O)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C14H23ClN4O2S/c1-17-14(13(15)11-16-17)22(20,21)19-9-7-18(8-10-19)12-5-3-2-4-6-12/h11-12H,2-10H2,1H3
InChIKeyRBOYRVVEFOZUFW-UHFFFAOYSA-N
XLogP1.71
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.88
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-4-methylpiperazine
CID 106150550
3-bromo-1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpiperidine
CID 106316012
1-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-4-pyrrolidin-2-ylpiperidine
CID 106315252
1-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-4-methylpiperidin-3-ol
CID 114150476
[1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpiperidin-3-yl]methanol
CID 114150451
4-chloro-5-[3-(2-chloroethyl)pyrrolidin-1-yl]sulfonyl-1-methylpyrazole
CID 114172618
3-(2-chloroethyl)-1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpiperidine
CID 106315908
1-cyclohexyl-4-(3,4-dichlorophenyl)sulfonylpiperazine
CID 23738911
2-[1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpyrrolidin-3-yl]ethanol
CID 114150469
[1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpyrrolidin-2-yl]methanamine
CID 114172496
5-[2-(bromomethyl)pyrrolidin-1-yl]sulfonyl-4-chloro-1-methylpyrazole
CID 106315994
1-(4-chloro-3-methylphenyl)sulfonyl-4-cyclohexylpiperazine
CID 113073090

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-4-cyclohexylpiperazine?
The IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-4-cyclohexylpiperazine (CID 155950524) is 1-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-4-cyclohexylpiperazine.
What is the SMILES notation for 1-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-4-cyclohexylpiperazine?
The canonical SMILES for 1-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-4-cyclohexylpiperazine is Cn1ncc(Cl)c1S(=O)(=O)N1CCN(C2CCCCC2)CC1.
What is the InChIKey of 1-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-4-cyclohexylpiperazine?
The InChIKey is RBOYRVVEFOZUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN4O2S/c1-17-14(13(15)11-16-17)22(20,21)19-9-7-18(8-10-19)12-5-3-2-4-6-12/h11-12H,2-10H2,1H3.
What are the key properties of 1-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-4-cyclohexylpiperazine?
1-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-4-cyclohexylpiperazine has a molecular weight of 346.88 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-4-cyclohexylpiperazine is sourced from PubChem (CID 155950524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).