[1-(aminomethyl)-2,3-dihydroinden-1-yl]-(1,5-dimethylpyrazol-4-yl)methanol

C16H21N3O — CID 79595903

IUPAC[1-(aminomethyl)-2,3-dihydroinden-1-yl]-(1,5-dimethylpyrazol-4-yl)methanol
SMILESCc1c(C(O)C2(CN)CCc3ccccc32)cnn1C
InChIInChI=1S/C16H21N3O/c1-11-13(9-18-19(11)2)15(20)16(10-17)8-7-12-5-3-4-6-14(12)16/h3-6,9,15,20H,7-8,10,17H2,1-2H3
InChIKeyYZTIPQDTODEGCU-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.60
Rot. Bonds3

About [1-(aminomethyl)-2,3-dihydroinden-1-yl]-(1,5-dimethylpyrazol-4-yl)methanol

[1-(aminomethyl)-2,3-dihydroinden-1-yl]-(1,5-dimethylpyrazol-4-yl)methanol (PubChem CID 79595903) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is [1-(aminomethyl)-2,3-dihydroinden-1-yl]-(1,5-dimethylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)-2,3-dihydroinden-1-yl]-(1,5-dimethylpyrazol-4-yl)methanol
PubChem CID79595903
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name[1-(aminomethyl)-2,3-dihydroinden-1-yl]-(1,5-dimethylpyrazol-4-yl)methanol
SMILESCc1c(C(O)C2(CN)CCc3ccccc32)cnn1C
InChIInChI=1S/C16H21N3O/c1-11-13(9-18-19(11)2)15(20)16(10-17)8-7-12-5-3-4-6-14(12)16/h3-6,9,15,20H,7-8,10,17H2,1-2H3
InChIKeyYZTIPQDTODEGCU-UHFFFAOYSA-N
XLogP1.60
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(aminomethyl)-2,3-dihydroinden-1-yl]-(1,3-dimethylpyrazol-4-yl)methanol
CID 83095188
[1-(aminomethyl)-2,3-dihydroinden-1-yl]-(2-methylphenyl)methanol
CID 79137764
[1-(aminomethyl)-2,3-dihydroinden-1-yl]-(2-methylpyrimidin-4-yl)methanol
CID 115530059
[1-(aminomethyl)-2,3-dihydroinden-1-yl]-(2,5-dimethylthiophen-3-yl)methanol
CID 79137526
[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-(1-methylpyrazol-4-yl)methanol
CID 79135632
[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-(2-methylphenyl)methanol
CID 79123653
[1-(aminomethyl)-2,3-dihydroinden-1-yl]-(3-propan-2-ylimidazol-4-yl)methanol
CID 79125450
[1-(aminomethyl)-2,3-dihydroinden-1-yl]-(3-methylthiophen-2-yl)methanol
CID 79138518
1-[1-(aminomethyl)-2,3-dihydroinden-1-yl]-2-phenylpropan-1-ol
CID 79124777
[1-(aminomethyl)-2,3-dihydroinden-1-yl]-(3,4-difluorophenyl)methanol
CID 79123645
[1-(aminomethyl)-2,3-dihydroinden-1-yl]-(4-chlorothiophen-2-yl)methanol
CID 79427568
(1S)-2-amino-1-(1,5-dimethylpyrazol-4-yl)ethanol
CID 96635093

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-2,3-dihydroinden-1-yl]-(1,5-dimethylpyrazol-4-yl)methanol?
The IUPAC name of [1-(aminomethyl)-2,3-dihydroinden-1-yl]-(1,5-dimethylpyrazol-4-yl)methanol (CID 79595903) is [1-(aminomethyl)-2,3-dihydroinden-1-yl]-(1,5-dimethylpyrazol-4-yl)methanol.
What is the SMILES notation for [1-(aminomethyl)-2,3-dihydroinden-1-yl]-(1,5-dimethylpyrazol-4-yl)methanol?
The canonical SMILES for [1-(aminomethyl)-2,3-dihydroinden-1-yl]-(1,5-dimethylpyrazol-4-yl)methanol is Cc1c(C(O)C2(CN)CCc3ccccc32)cnn1C.
What is the InChIKey of [1-(aminomethyl)-2,3-dihydroinden-1-yl]-(1,5-dimethylpyrazol-4-yl)methanol?
The InChIKey is YZTIPQDTODEGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-11-13(9-18-19(11)2)15(20)16(10-17)8-7-12-5-3-4-6-14(12)16/h3-6,9,15,20H,7-8,10,17H2,1-2H3.
What are the key properties of [1-(aminomethyl)-2,3-dihydroinden-1-yl]-(1,5-dimethylpyrazol-4-yl)methanol?
[1-(aminomethyl)-2,3-dihydroinden-1-yl]-(1,5-dimethylpyrazol-4-yl)methanol has a molecular weight of 271.36 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-2,3-dihydroinden-1-yl]-(1,5-dimethylpyrazol-4-yl)methanol is sourced from PubChem (CID 79595903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).