[(4R)-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]azanium

C16H22N3O+ — CID 7200946

IUPAC[(4R)-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]azanium
SMILESCOc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3[NH3+])cc1
InChIInChI=1S/C16H21N3O/c1-16(2)8-14(17)13-10-18-19(15(13)9-16)11-4-6-12(20-3)7-5-11/h4-7,10,14H,8-9,17H2,1-3H3/p+1/t14-/m1/s1
InChIKeyFBGZOVPHHCRXEK-CQSZACIVSA-O
MW272.37 g/mol
LogP2.14
Rot. Bonds2

About [(4R)-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]azanium

[(4R)-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]azanium (PubChem CID 7200946) has the molecular formula C16H22N3O+ and a molecular weight of 272.37 g/mol. Its IUPAC name is [(4R)-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]azanium.

Molecular Properties

Compound Name[(4R)-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]azanium
PubChem CID7200946
Molecular FormulaC16H22N3O+
Molecular Weight272.37 g/mol
Exact Mass272.18
IUPAC Name[(4R)-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]azanium
SMILESCOc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3[NH3+])cc1
InChIInChI=1S/C16H21N3O/c1-16(2)8-14(17)13-10-18-19(15(13)9-16)11-4-6-12(20-3)7-5-11/h4-7,10,14H,8-9,17H2,1-3H3/p+1/t14-/m1/s1
InChIKeyFBGZOVPHHCRXEK-CQSZACIVSA-O
XLogP2.14
TPSA54.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(4R)-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]azanium with MolForge

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Related Compounds

N-[(4S)-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-1,2,5-thiadiazole-3-carboxamide
CID 42113242
(4R)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-amine
CID 42514602
N-[(4R)-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-(1,2,4-triazol-1-yl)propanamide
CID 42428692
3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-[(4R)-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]propanamide
CID 51494447
2-indazol-2-yl-N-[(4R)-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]acetamide
CID 25461195
N-[(4R)-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-(2-oxopyrrolidin-1-yl)propanamide
CID 25366356
N-[(2-fluoro-4-methoxyphenyl)methyl]-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-amine
CID 45176650
N-[(4S)-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-methoxyacetamide
CID 42153757
1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 44819704
1-(4-methoxyphenyl)-N-propyl-4,5,6,7-tetrahydroindazol-4-amine
CID 65356554
(6S)-1-(4-methoxyphenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one
CID 29101010
6,6-dimethyl-1-(4-methylphenyl)-N-[(4-pyrimidin-2-yloxyphenyl)methyl]-5,7-dihydro-4H-indazol-4-amine
CID 45170289

Frequently Asked Questions

What is the IUPAC name of [(4R)-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]azanium?
The IUPAC name of [(4R)-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]azanium (CID 7200946) is [(4R)-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]azanium.
What is the SMILES notation for [(4R)-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]azanium?
The canonical SMILES for [(4R)-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]azanium is COc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3[NH3+])cc1.
What is the InChIKey of [(4R)-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]azanium?
The InChIKey is FBGZOVPHHCRXEK-CQSZACIVSA-O. The full InChI is InChI=1S/C16H21N3O/c1-16(2)8-14(17)13-10-18-19(15(13)9-16)11-4-6-12(20-3)7-5-11/h4-7,10,14H,8-9,17H2,1-3H3/p+1/t14-/m1/s1.
What are the key properties of [(4R)-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]azanium?
[(4R)-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]azanium has a molecular weight of 272.37 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]azanium is sourced from PubChem (CID 7200946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).