3-(4-methoxyphenyl)-6,6-dimethyl-3,3a,4,7-tetrahydro-2H-pyrano[4,3-c]pyrazole

C15H20N2O2 — CID 4713769

IUPAC3-(4-methoxyphenyl)-6,6-dimethyl-3,3a,4,7-tetrahydro-2H-pyrano[4,3-c]pyrazole
SMILESCOc1ccc(C2NN=C3CC(C)(C)OCC32)cc1
InChIInChI=1S/C15H20N2O2/c1-15(2)8-13-12(9-19-15)14(17-16-13)10-4-6-11(18-3)7-5-10/h4-7,12,14,17H,8-9H2,1-3H3
InChIKeyNXJNSSUPWRUARG-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.51
Rot. Bonds2

About 3-(4-methoxyphenyl)-6,6-dimethyl-3,3a,4,7-tetrahydro-2H-pyrano[4,3-c]pyrazole

3-(4-methoxyphenyl)-6,6-dimethyl-3,3a,4,7-tetrahydro-2H-pyrano[4,3-c]pyrazole (PubChem CID 4713769) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-6,6-dimethyl-3,3a,4,7-tetrahydro-2H-pyrano[4,3-c]pyrazole.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-6,6-dimethyl-3,3a,4,7-tetrahydro-2H-pyrano[4,3-c]pyrazole
PubChem CID4713769
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name3-(4-methoxyphenyl)-6,6-dimethyl-3,3a,4,7-tetrahydro-2H-pyrano[4,3-c]pyrazole
SMILESCOc1ccc(C2NN=C3CC(C)(C)OCC32)cc1
InChIInChI=1S/C15H20N2O2/c1-15(2)8-13-12(9-19-15)14(17-16-13)10-4-6-11(18-3)7-5-10/h4-7,12,14,17H,8-9H2,1-3H3
InChIKeyNXJNSSUPWRUARG-UHFFFAOYSA-N
XLogP2.51
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3R,3aS)-3-(4-methoxyphenyl)-6,6-dimethyl-3,3a,4,7-tetrahydropyrano[4,3-c]pyrazol-2-yl]ethanone
CID 846530
(3R,3aR)-3-(4-methoxyphenyl)-2,3,3a,6-tetrahydropyrazolo[3,4-d][1,3]thiazol-5-one
CID 136900618
2-[4-(4-methoxyphenyl)phenyl]cyclopentan-1-amine
CID 69111845
7-methoxy-3-(4-phenylphenyl)-3,3a,4,5-tetrahydro-2H-benzo[g]indazole
CID 134107340
2-tert-butyl-4-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazole
CID 135139397
trans-(8R,9R)-8,9-bis(4-methoxyphenyl)-1,4-dioxa-7,10-diazacyclododecane
CID 10905147
3-(3-methoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridine
CID 110540532
4-(4-methoxyphenyl)-2,2,5-trimethyl-1,3-dioxolane
CID 56986398
4-(4-methoxyphenyl)-1,2-oxazolidine
CID 105438001
(1R,2S,4R,5S,9S,12S,13S,18S)-5-(4-methoxyphenyl)-9,13-dimethyl-6,7-diazapentacyclo[10.8.0.02,9.04,8.013,18]icos-7-en-16-one
CID 171346656
(3R,3aS)-3-(4-methoxyphenyl)-7-methyl-2,3,3a,4,5,10-hexahydropyrazolo[3,4-a]carbazole
CID 135778726
(3S,3aS)-3-(4-methoxyphenyl)-7-methyl-2,3,3a,4,5,10-hexahydropyrazolo[3,4-a]carbazole
CID 135726808

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-6,6-dimethyl-3,3a,4,7-tetrahydro-2H-pyrano[4,3-c]pyrazole?
The IUPAC name of 3-(4-methoxyphenyl)-6,6-dimethyl-3,3a,4,7-tetrahydro-2H-pyrano[4,3-c]pyrazole (CID 4713769) is 3-(4-methoxyphenyl)-6,6-dimethyl-3,3a,4,7-tetrahydro-2H-pyrano[4,3-c]pyrazole.
What is the SMILES notation for 3-(4-methoxyphenyl)-6,6-dimethyl-3,3a,4,7-tetrahydro-2H-pyrano[4,3-c]pyrazole?
The canonical SMILES for 3-(4-methoxyphenyl)-6,6-dimethyl-3,3a,4,7-tetrahydro-2H-pyrano[4,3-c]pyrazole is COc1ccc(C2NN=C3CC(C)(C)OCC32)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-6,6-dimethyl-3,3a,4,7-tetrahydro-2H-pyrano[4,3-c]pyrazole?
The InChIKey is NXJNSSUPWRUARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-15(2)8-13-12(9-19-15)14(17-16-13)10-4-6-11(18-3)7-5-10/h4-7,12,14,17H,8-9H2,1-3H3.
What are the key properties of 3-(4-methoxyphenyl)-6,6-dimethyl-3,3a,4,7-tetrahydro-2H-pyrano[4,3-c]pyrazole?
3-(4-methoxyphenyl)-6,6-dimethyl-3,3a,4,7-tetrahydro-2H-pyrano[4,3-c]pyrazole has a molecular weight of 260.34 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-6,6-dimethyl-3,3a,4,7-tetrahydro-2H-pyrano[4,3-c]pyrazole is sourced from PubChem (CID 4713769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).