4-[4-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]piperazin-1-yl]sulfonylmorpholine

C19H27N5O4S — CID 131935843

IUPAC4-[4-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]piperazin-1-yl]sulfonylmorpholine
SMILESCOc1ccccc1-n1cc(CN2CCN(S(=O)(=O)N3CCOCC3)CC2)cn1
InChIInChI=1S/C19H27N5O4S/c1-27-19-5-3-2-4-18(19)24-16-17(14-20-24)15-21-6-8-22(9-7-21)29(25,26)23-10-12-28-13-11-23/h2-5,14,16H,6-13,15H2,1H3
InChIKeyLHXBFSCCPVNOCD-UHFFFAOYSA-N
MW421.52 g/mol
LogP0.58
Rot. Bonds6

About 4-[4-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]piperazin-1-yl]sulfonylmorpholine

4-[4-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]piperazin-1-yl]sulfonylmorpholine (PubChem CID 131935843) has the molecular formula C19H27N5O4S and a molecular weight of 421.52 g/mol. Its IUPAC name is 4-[4-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]piperazin-1-yl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[4-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]piperazin-1-yl]sulfonylmorpholine
PubChem CID131935843
Molecular FormulaC19H27N5O4S
Molecular Weight421.52 g/mol
Exact Mass421.18
IUPAC Name4-[4-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]piperazin-1-yl]sulfonylmorpholine
SMILESCOc1ccccc1-n1cc(CN2CCN(S(=O)(=O)N3CCOCC3)CC2)cn1
InChIInChI=1S/C19H27N5O4S/c1-27-19-5-3-2-4-18(19)24-16-17(14-20-24)15-21-6-8-22(9-7-21)29(25,26)23-10-12-28-13-11-23/h2-5,14,16H,6-13,15H2,1H3
InChIKeyLHXBFSCCPVNOCD-UHFFFAOYSA-N
XLogP0.58
TPSA80.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]piperidin-3-yl]morpholine
CID 45219237
8-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one
CID 74235732
8-methoxy-3-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-3-azabicyclo[3.2.1]octane
CID 156609533
4-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]sulfonylmorpholine
CID 51335547
1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-4-(1H-1,2,4-triazol-5-yl)piperidine
CID 74230143
(5S)-9-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 97186663
(7S,9aR)-2-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-7,8-dimethyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
CID 56852323
(7S,9aR)-7-ethyl-2-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 56856127
(3R)-1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-3-(1H-1,2,4-triazol-5-yl)piperidine
CID 99946181
(2R)-N-[2-(2-methoxyphenyl)ethyl]-6-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 42434992
(7S,9aR)-2-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-7-propan-2-yl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 56856634
2-[(2S)-1-cyclopentyl-4-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]piperazin-2-yl]ethanol
CID 28925095

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]piperazin-1-yl]sulfonylmorpholine?
The IUPAC name of 4-[4-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]piperazin-1-yl]sulfonylmorpholine (CID 131935843) is 4-[4-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]piperazin-1-yl]sulfonylmorpholine.
What is the SMILES notation for 4-[4-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]piperazin-1-yl]sulfonylmorpholine?
The canonical SMILES for 4-[4-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]piperazin-1-yl]sulfonylmorpholine is COc1ccccc1-n1cc(CN2CCN(S(=O)(=O)N3CCOCC3)CC2)cn1.
What is the InChIKey of 4-[4-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]piperazin-1-yl]sulfonylmorpholine?
The InChIKey is LHXBFSCCPVNOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O4S/c1-27-19-5-3-2-4-18(19)24-16-17(14-20-24)15-21-6-8-22(9-7-21)29(25,26)23-10-12-28-13-11-23/h2-5,14,16H,6-13,15H2,1H3.
What are the key properties of 4-[4-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]piperazin-1-yl]sulfonylmorpholine?
4-[4-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]piperazin-1-yl]sulfonylmorpholine has a molecular weight of 421.52 g/mol, XLogP of 0.58, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]piperazin-1-yl]sulfonylmorpholine is sourced from PubChem (CID 131935843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).