1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonyl-4-pyridin-2-ylpiperazine

C20H23N5O2S — CID 19682926

IUPAC1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonyl-4-pyridin-2-ylpiperazine
SMILESCc1nn(-c2ccccc2)c(C)c1S(=O)(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H23N5O2S/c1-16-20(17(2)25(22-16)18-8-4-3-5-9-18)28(26,27)24-14-12-23(13-15-24)19-10-6-7-11-21-19/h3-11H,12-15H2,1-2H3
InChIKeyQLHDKTBDIBIEHA-UHFFFAOYSA-N
MW397.50 g/mol
LogP2.40
Rot. Bonds4

About 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonyl-4-pyridin-2-ylpiperazine

1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonyl-4-pyridin-2-ylpiperazine (PubChem CID 19682926) has the molecular formula C20H23N5O2S and a molecular weight of 397.50 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonyl-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonyl-4-pyridin-2-ylpiperazine
PubChem CID19682926
Molecular FormulaC20H23N5O2S
Molecular Weight397.50 g/mol
Exact Mass397.16
IUPAC Name1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonyl-4-pyridin-2-ylpiperazine
SMILESCc1nn(-c2ccccc2)c(C)c1S(=O)(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H23N5O2S/c1-16-20(17(2)25(22-16)18-8-4-3-5-9-18)28(26,27)24-14-12-23(13-15-24)19-10-6-7-11-21-19/h3-11H,12-15H2,1-2H3
InChIKeyQLHDKTBDIBIEHA-UHFFFAOYSA-N
XLogP2.40
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(benzenesulfonyl)-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpiperazine;hydrochloride
CID 90483064
1-(4-fluorophenyl)-4-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]sulfonylpiperazine
CID 53075855
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 51260305
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonyl-4-(4-nitrophenyl)sulfonylpiperazine
CID 19684923
1-(4-chlorophenyl)-4-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]sulfonylpiperazine
CID 53076060
1-(4-butylphenyl)sulfonyl-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpiperazine
CID 17301213
1-(4-methoxy-2,3,6-trimethylphenyl)sulfonyl-4-pyridin-2-ylpiperazine
CID 3851525
[1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpiperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 53028420
2-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]pyrimidine
CID 19682868
1-(2,6-difluoro-4-methoxyphenyl)sulfonyl-4-pyridin-2-ylpiperazine
CID 172655844
1-[(2,4-dichlorophenyl)methyl]-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpiperazine
CID 22208018
4-pyridin-2-ylpiperazine-1-sulfonic acid
CID 142758233

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonyl-4-pyridin-2-ylpiperazine?
The IUPAC name of 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonyl-4-pyridin-2-ylpiperazine (CID 19682926) is 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonyl-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonyl-4-pyridin-2-ylpiperazine?
The canonical SMILES for 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonyl-4-pyridin-2-ylpiperazine is Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonyl-4-pyridin-2-ylpiperazine?
The InChIKey is QLHDKTBDIBIEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2S/c1-16-20(17(2)25(22-16)18-8-4-3-5-9-18)28(26,27)24-14-12-23(13-15-24)19-10-6-7-11-21-19/h3-11H,12-15H2,1-2H3.
What are the key properties of 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonyl-4-pyridin-2-ylpiperazine?
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonyl-4-pyridin-2-ylpiperazine has a molecular weight of 397.50 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonyl-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 19682926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).