1-[[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]-2,3-dihydroinden-1-ol

C20H29N3O — CID 109482548

IUPAC1-[[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]-2,3-dihydroinden-1-ol
SMILESCc1nn(C(C)(C)C)c(C)c1CNCC1(O)CCc2ccccc21
InChIInChI=1S/C20H29N3O/c1-14-17(15(2)23(22-14)19(3,4)5)12-21-13-20(24)11-10-16-8-6-7-9-18(16)20/h6-9,21,24H,10-13H2,1-5H3
InChIKeyQHZKOSSNQOWVBI-UHFFFAOYSA-N
MW327.47 g/mol
LogP3.18
Rot. Bonds4

About 1-[[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]-2,3-dihydroinden-1-ol

1-[[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]-2,3-dihydroinden-1-ol (PubChem CID 109482548) has the molecular formula C20H29N3O and a molecular weight of 327.47 g/mol. Its IUPAC name is 1-[[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name1-[[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]-2,3-dihydroinden-1-ol
PubChem CID109482548
Molecular FormulaC20H29N3O
Molecular Weight327.47 g/mol
Exact Mass327.23
IUPAC Name1-[[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]-2,3-dihydroinden-1-ol
SMILESCc1nn(C(C)(C)C)c(C)c1CNCC1(O)CCc2ccccc21
InChIInChI=1S/C20H29N3O/c1-14-17(15(2)23(22-14)19(3,4)5)12-21-13-20(24)11-10-16-8-6-7-9-18(16)20/h6-9,21,24H,10-13H2,1-5H3
InChIKeyQHZKOSSNQOWVBI-UHFFFAOYSA-N
XLogP3.18
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]-2,3-dihydroinden-1-ol?
The IUPAC name of 1-[[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]-2,3-dihydroinden-1-ol (CID 109482548) is 1-[[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]-2,3-dihydroinden-1-ol.
What is the SMILES notation for 1-[[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]-2,3-dihydroinden-1-ol?
The canonical SMILES for 1-[[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]-2,3-dihydroinden-1-ol is Cc1nn(C(C)(C)C)c(C)c1CNCC1(O)CCc2ccccc21.
What is the InChIKey of 1-[[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]-2,3-dihydroinden-1-ol?
The InChIKey is QHZKOSSNQOWVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O/c1-14-17(15(2)23(22-14)19(3,4)5)12-21-13-20(24)11-10-16-8-6-7-9-18(16)20/h6-9,21,24H,10-13H2,1-5H3.
What are the key properties of 1-[[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]-2,3-dihydroinden-1-ol?
1-[[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]-2,3-dihydroinden-1-ol has a molecular weight of 327.47 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]-2,3-dihydroinden-1-ol is sourced from PubChem (CID 109482548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).