5-tert-butyl-1-(oxan-4-yl)-5-propan-2-yl-6,7-dihydro-4H-indazole

C19H32N2O — CID 130233467

IUPAC5-tert-butyl-1-(oxan-4-yl)-5-propan-2-yl-6,7-dihydro-4H-indazole
SMILESCC(C)C1(C(C)(C)C)CCc2c(cnn2C2CCOCC2)C1
InChIInChI=1S/C19H32N2O/c1-14(2)19(18(3,4)5)9-6-17-15(12-19)13-20-21(17)16-7-10-22-11-8-16/h13-14,16H,6-12H2,1-5H3
InChIKeyOMNUNARIZXGTLW-UHFFFAOYSA-N
MW304.48 g/mol
LogP4.41
Rot. Bonds2

About 5-tert-butyl-1-(oxan-4-yl)-5-propan-2-yl-6,7-dihydro-4H-indazole

5-tert-butyl-1-(oxan-4-yl)-5-propan-2-yl-6,7-dihydro-4H-indazole (PubChem CID 130233467) has the molecular formula C19H32N2O and a molecular weight of 304.48 g/mol. Its IUPAC name is 5-tert-butyl-1-(oxan-4-yl)-5-propan-2-yl-6,7-dihydro-4H-indazole.

Molecular Properties

Compound Name5-tert-butyl-1-(oxan-4-yl)-5-propan-2-yl-6,7-dihydro-4H-indazole
PubChem CID130233467
Molecular FormulaC19H32N2O
Molecular Weight304.48 g/mol
Exact Mass304.25
IUPAC Name5-tert-butyl-1-(oxan-4-yl)-5-propan-2-yl-6,7-dihydro-4H-indazole
SMILESCC(C)C1(C(C)(C)C)CCc2c(cnn2C2CCOCC2)C1
InChIInChI=1S/C19H32N2O/c1-14(2)19(18(3,4)5)9-6-17-15(12-19)13-20-21(17)16-7-10-22-11-8-16/h13-14,16H,6-12H2,1-5H3
InChIKeyOMNUNARIZXGTLW-UHFFFAOYSA-N
XLogP4.41
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-1-(oxan-4-yl)pyrazol-4-amine
CID 69281503
1-(oxan-4-yl)-5,6-dihydro-4H-indazol-7-one
CID 142345857
tert-butyl 1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxylate;tert-butyl 2-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate
CID 158182468
5-methyl-1-(oxan-4-yl)pyrazol-4-amine;hydrochloride
CID 172907955
4-(4-tert-butyl-4-propan-2-ylcyclohexyl)morpholine
CID 122679820
N-(oxan-4-yl)-1-propan-2-ylpyrazol-4-amine
CID 62903541
4-methyl-1-(oxolan-3-yl)-5-propan-2-ylpyrazole
CID 174248923
(1-cyclopropyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)-[(2-methylpropan-2-yl)oxy]methanol
CID 123874112
1-cyclopentyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 105445512
1-cyclopropyl-5-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole
CID 118974332
1-(oxan-3-yl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 105460739
5-chloro-1-(oxan-4-yl)pyrazolo[3,4-c]pyridine
CID 121416628

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-(oxan-4-yl)-5-propan-2-yl-6,7-dihydro-4H-indazole?
The IUPAC name of 5-tert-butyl-1-(oxan-4-yl)-5-propan-2-yl-6,7-dihydro-4H-indazole (CID 130233467) is 5-tert-butyl-1-(oxan-4-yl)-5-propan-2-yl-6,7-dihydro-4H-indazole.
What is the SMILES notation for 5-tert-butyl-1-(oxan-4-yl)-5-propan-2-yl-6,7-dihydro-4H-indazole?
The canonical SMILES for 5-tert-butyl-1-(oxan-4-yl)-5-propan-2-yl-6,7-dihydro-4H-indazole is CC(C)C1(C(C)(C)C)CCc2c(cnn2C2CCOCC2)C1.
What is the InChIKey of 5-tert-butyl-1-(oxan-4-yl)-5-propan-2-yl-6,7-dihydro-4H-indazole?
The InChIKey is OMNUNARIZXGTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O/c1-14(2)19(18(3,4)5)9-6-17-15(12-19)13-20-21(17)16-7-10-22-11-8-16/h13-14,16H,6-12H2,1-5H3.
What are the key properties of 5-tert-butyl-1-(oxan-4-yl)-5-propan-2-yl-6,7-dihydro-4H-indazole?
5-tert-butyl-1-(oxan-4-yl)-5-propan-2-yl-6,7-dihydro-4H-indazole has a molecular weight of 304.48 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-(oxan-4-yl)-5-propan-2-yl-6,7-dihydro-4H-indazole is sourced from PubChem (CID 130233467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).