(3R)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]sulfonyl-3-methylpiperazine

C15H20N4O3S — CID 124619163

IUPAC(3R)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]sulfonyl-3-methylpiperazine
SMILESCOc1ccccc1-n1cc(S(=O)(=O)N2CCN[C@H](C)C2)cn1
InChIInChI=1S/C15H20N4O3S/c1-12-10-18(8-7-16-12)23(20,21)13-9-17-19(11-13)14-5-3-4-6-15(14)22-2/h3-6,9,11-12,16H,7-8,10H2,1-2H3/t12-/m1/s1
InChIKeyJOMUBAZAXLKLMY-GFCCVEGCSA-N
MW336.42 g/mol
LogP0.86
Rot. Bonds4

About (3R)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]sulfonyl-3-methylpiperazine

(3R)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]sulfonyl-3-methylpiperazine (PubChem CID 124619163) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is (3R)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]sulfonyl-3-methylpiperazine.

Molecular Properties

Compound Name(3R)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]sulfonyl-3-methylpiperazine
PubChem CID124619163
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC Name(3R)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]sulfonyl-3-methylpiperazine
SMILESCOc1ccccc1-n1cc(S(=O)(=O)N2CCN[C@H](C)C2)cn1
InChIInChI=1S/C15H20N4O3S/c1-12-10-18(8-7-16-12)23(20,21)13-9-17-19(11-13)14-5-3-4-6-15(14)22-2/h3-6,9,11-12,16H,7-8,10H2,1-2H3/t12-/m1/s1
InChIKeyJOMUBAZAXLKLMY-GFCCVEGCSA-N
XLogP0.86
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(2-methoxyphenyl)pyrazol-4-yl]sulfonylpiperidin-4-amine;hydrochloride
CID 119959400
1-[1-[1-(2-methoxyphenyl)pyrazol-4-yl]sulfonylpiperidin-4-yl]-N-methylmethanamine
CID 119978577
3-methyl-1-[1-(4-methylphenyl)pyrazol-4-yl]sulfonylpiperazine;hydrochloride
CID 119981903
(3S,4R)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]sulfonyl-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120766954
N-(cyclopropylmethyl)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]sulfonylpiperidin-4-amine;hydrochloride
CID 119987935
1-(benzenesulfonyl)-3-methylpiperazine;hydrochloride
CID 66582417
1-(4-methoxyphenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 119982135
(3R)-1-(3-methoxythiophen-2-yl)sulfonyl-3-methylpiperazine
CID 124619167
1-(2-methoxyphenyl)-N-piperidin-4-yl-N-propylpyrazole-4-sulfonamide
CID 119994189
(3S)-3-methyl-1-pyridin-2-ylsulfonylpiperazine
CID 86331843
1-(2-methoxyphenyl)-N-(2-pyrrolidin-3-ylethyl)pyrazole-4-sulfonamide;hydrochloride
CID 119977433
3-[1-(2-fluorophenyl)pyrazol-4-yl]sulfonyl-3,9-diazabicyclo[4.2.1]nonane
CID 119989448

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]sulfonyl-3-methylpiperazine?
The IUPAC name of (3R)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]sulfonyl-3-methylpiperazine (CID 124619163) is (3R)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]sulfonyl-3-methylpiperazine.
What is the SMILES notation for (3R)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]sulfonyl-3-methylpiperazine?
The canonical SMILES for (3R)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]sulfonyl-3-methylpiperazine is COc1ccccc1-n1cc(S(=O)(=O)N2CCN[C@H](C)C2)cn1.
What is the InChIKey of (3R)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]sulfonyl-3-methylpiperazine?
The InChIKey is JOMUBAZAXLKLMY-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-12-10-18(8-7-16-12)23(20,21)13-9-17-19(11-13)14-5-3-4-6-15(14)22-2/h3-6,9,11-12,16H,7-8,10H2,1-2H3/t12-/m1/s1.
What are the key properties of (3R)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]sulfonyl-3-methylpiperazine?
(3R)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]sulfonyl-3-methylpiperazine has a molecular weight of 336.42 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]sulfonyl-3-methylpiperazine is sourced from PubChem (CID 124619163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).