(1R,2S)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]-2,3-dihydro-1H-inden-2-ol

C18H25N3O — CID 109479954

IUPAC(1R,2S)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]-2,3-dihydro-1H-inden-2-ol
SMILESCCc1nn(C)c(CC)c1CN[C@@H]1c2ccccc2C[C@@H]1O
InChIInChI=1S/C18H25N3O/c1-4-15-14(16(5-2)21(3)20-15)11-19-18-13-9-7-6-8-12(13)10-17(18)22/h6-9,17-19,22H,4-5,10-11H2,1-3H3/t17-,18+/m0/s1
InChIKeyYSBATMJKNTVAOW-ZWKOTPCHSA-N
MW299.42 g/mol
LogP2.29
Rot. Bonds5

About (1R,2S)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]-2,3-dihydro-1H-inden-2-ol

(1R,2S)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]-2,3-dihydro-1H-inden-2-ol (PubChem CID 109479954) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is (1R,2S)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]-2,3-dihydro-1H-inden-2-ol.

Molecular Properties

Compound Name(1R,2S)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]-2,3-dihydro-1H-inden-2-ol
PubChem CID109479954
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name(1R,2S)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]-2,3-dihydro-1H-inden-2-ol
SMILESCCc1nn(C)c(CC)c1CN[C@@H]1c2ccccc2C[C@@H]1O
InChIInChI=1S/C18H25N3O/c1-4-15-14(16(5-2)21(3)20-15)11-19-18-13-9-7-6-8-12(13)10-17(18)22/h6-9,17-19,22H,4-5,10-11H2,1-3H3/t17-,18+/m0/s1
InChIKeyYSBATMJKNTVAOW-ZWKOTPCHSA-N
XLogP2.29
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,2S)-1-[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 49463080
2-(3,5-diethyl-1-methylpyrazol-4-yl)-N-[(1S,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 136587064
1-[[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol
CID 109481925
1-(pyridin-4-ylmethylamino)-2,3-dihydro-1H-inden-2-ol
CID 71922626
(1R,2S)-1-[[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylamino]-2,3-dihydro-1H-inden-2-ol
CID 47814924
(1R,2S)-1-(2-methylpropylamino)-2,3-dihydro-1H-inden-2-ol
CID 103880518
(1R,2S)-1-[[5-chloro-1-[(4-fluorophenyl)methyl]-3-methylpyrazol-4-yl]methylamino]-2,3-dihydro-1H-inden-2-ol
CID 47814940
(1R,2S)-1-[(4-tert-butylphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 49463406
(1S,2R)-1-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-2,3-dihydro-1H-inden-2-ol
CID 110923337
(1R,2S)-1-[(2-methoxynaphthalen-1-yl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 49463306
(1R,2S)-1-[(5-methylfuran-2-yl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 49463266
(1R,2S)-1-[(3,4-dimethylphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 49463366

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]-2,3-dihydro-1H-inden-2-ol?
The IUPAC name of (1R,2S)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]-2,3-dihydro-1H-inden-2-ol (CID 109479954) is (1R,2S)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]-2,3-dihydro-1H-inden-2-ol.
What is the SMILES notation for (1R,2S)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]-2,3-dihydro-1H-inden-2-ol?
The canonical SMILES for (1R,2S)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]-2,3-dihydro-1H-inden-2-ol is CCc1nn(C)c(CC)c1CN[C@@H]1c2ccccc2C[C@@H]1O.
What is the InChIKey of (1R,2S)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]-2,3-dihydro-1H-inden-2-ol?
The InChIKey is YSBATMJKNTVAOW-ZWKOTPCHSA-N. The full InChI is InChI=1S/C18H25N3O/c1-4-15-14(16(5-2)21(3)20-15)11-19-18-13-9-7-6-8-12(13)10-17(18)22/h6-9,17-19,22H,4-5,10-11H2,1-3H3/t17-,18+/m0/s1.
What are the key properties of (1R,2S)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]-2,3-dihydro-1H-inden-2-ol?
(1R,2S)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]-2,3-dihydro-1H-inden-2-ol has a molecular weight of 299.42 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]-2,3-dihydro-1H-inden-2-ol is sourced from PubChem (CID 109479954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).