3-amino-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2,3-dihydroinden-1-ol

C16H21N3O2 — CID 107089583

IUPAC3-amino-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2,3-dihydroinden-1-ol
SMILESCOc1cnn(C(C)C)c1C1(O)CC(N)c2ccccc21
InChIInChI=1S/C16H21N3O2/c1-10(2)19-15(14(21-3)9-18-19)16(20)8-13(17)11-6-4-5-7-12(11)16/h4-7,9-10,13,20H,8,17H2,1-3H3
InChIKeyDQKHHBGPDDSRBA-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.11
Rot. Bonds3

About 3-amino-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2,3-dihydroinden-1-ol

3-amino-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2,3-dihydroinden-1-ol (PubChem CID 107089583) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-amino-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name3-amino-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2,3-dihydroinden-1-ol
PubChem CID107089583
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name3-amino-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2,3-dihydroinden-1-ol
SMILESCOc1cnn(C(C)C)c1C1(O)CC(N)c2ccccc21
InChIInChI=1S/C16H21N3O2/c1-10(2)19-15(14(21-3)9-18-19)16(20)8-13(17)11-6-4-5-7-12(11)16/h4-7,9-10,13,20H,8,17H2,1-3H3
InChIKeyDQKHHBGPDDSRBA-UHFFFAOYSA-N
XLogP2.11
TPSA73.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-1-(2-methoxy-5-methylphenyl)-2,3-dihydroinden-1-ol
CID 107089821
3-amino-1-(4-methoxyphenyl)-2,3-dihydroinden-1-ol
CID 107089666
4-hydroxy-4-(4-methoxy-1-propan-2-ylpyrazol-5-yl)cyclohexan-1-one
CID 114636426
5-(3-bromo-1-methylcyclopentyl)-4-methoxy-1-propan-2-ylpyrazole
CID 114665739
2-tert-butyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)cyclohexan-1-ol
CID 114633215
3-amino-2,3-dihydroindene-1,1-diol
CID 70048051
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol
CID 114637834
[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
CID 105224746
2-ethyl-4-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-methyloxan-4-ol
CID 114635866
4-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-1-propylpiperidin-4-ol
CID 114633692
3-amino-1-(3-fluoro-4-methylphenyl)-2,3-dihydroinden-1-ol
CID 107128224
2,3-dihydro-1H-inden-1-yl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
CID 114640841

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2,3-dihydroinden-1-ol?
The IUPAC name of 3-amino-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2,3-dihydroinden-1-ol (CID 107089583) is 3-amino-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2,3-dihydroinden-1-ol.
What is the SMILES notation for 3-amino-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2,3-dihydroinden-1-ol?
The canonical SMILES for 3-amino-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2,3-dihydroinden-1-ol is COc1cnn(C(C)C)c1C1(O)CC(N)c2ccccc21.
What is the InChIKey of 3-amino-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2,3-dihydroinden-1-ol?
The InChIKey is DQKHHBGPDDSRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-10(2)19-15(14(21-3)9-18-19)16(20)8-13(17)11-6-4-5-7-12(11)16/h4-7,9-10,13,20H,8,17H2,1-3H3.
What are the key properties of 3-amino-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2,3-dihydroinden-1-ol?
3-amino-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2,3-dihydroinden-1-ol has a molecular weight of 287.36 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2,3-dihydroinden-1-ol is sourced from PubChem (CID 107089583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).