2-(3,5-diethylpyrazol-1-yl)-6-methoxy-2,3-dihydro-1H-inden-1-amine

C17H23N3O — CID 82695753

IUPAC2-(3,5-diethylpyrazol-1-yl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
SMILESCCc1cc(CC)n(C2Cc3ccc(OC)cc3C2N)n1
InChIInChI=1S/C17H23N3O/c1-4-12-9-13(5-2)20(19-12)16-8-11-6-7-14(21-3)10-15(11)17(16)18/h6-7,9-10,16-17H,4-5,8,18H2,1-3H3
InChIKeyKRZQDNVVJASLKV-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.81
Rot. Bonds4

About 2-(3,5-diethylpyrazol-1-yl)-6-methoxy-2,3-dihydro-1H-inden-1-amine

2-(3,5-diethylpyrazol-1-yl)-6-methoxy-2,3-dihydro-1H-inden-1-amine (PubChem CID 82695753) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-(3,5-diethylpyrazol-1-yl)-6-methoxy-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name2-(3,5-diethylpyrazol-1-yl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
PubChem CID82695753
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-(3,5-diethylpyrazol-1-yl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
SMILESCCc1cc(CC)n(C2Cc3ccc(OC)cc3C2N)n1
InChIInChI=1S/C17H23N3O/c1-4-12-9-13(5-2)20(19-12)16-8-11-6-7-14(21-3)10-15(11)17(16)18/h6-7,9-10,16-17H,4-5,8,18H2,1-3H3
InChIKeyKRZQDNVVJASLKV-UHFFFAOYSA-N
XLogP2.81
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-ethyl-4-methylpiperazin-1-yl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79370890
2-(3-ethylmorpholin-4-yl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79374609
2-ethylsulfonyl-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79374666
2-ethylsulfinyl-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79368756
7-methoxy-2-(3,4,5-trimethylpyrazol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79234962
6-methoxy-2-(3-methylmorpholin-4-yl)-2,3-dihydro-1H-inden-1-amine
CID 79375025
2-N-ethyl-2-N-(2-ethylbutyl)-6-methoxy-2,3-dihydro-1H-indene-1,2-diamine
CID 79370663
2-N-(2,2-dimethylpropyl)-6-methoxy-2-N-methyl-2,3-dihydro-1H-indene-1,2-diamine
CID 79374321
2-(3,5-diethylpyrazol-1-yl)-4-ethylcyclohexan-1-amine
CID 82692586
3-(3,5-diethylpyrazol-1-yl)cyclopentan-1-amine
CID 82692472
2-(2-butoxyethoxy)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79374328
2-(2,2-difluoroethoxy)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 82003939

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-diethylpyrazol-1-yl)-6-methoxy-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 2-(3,5-diethylpyrazol-1-yl)-6-methoxy-2,3-dihydro-1H-inden-1-amine (CID 82695753) is 2-(3,5-diethylpyrazol-1-yl)-6-methoxy-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 2-(3,5-diethylpyrazol-1-yl)-6-methoxy-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 2-(3,5-diethylpyrazol-1-yl)-6-methoxy-2,3-dihydro-1H-inden-1-amine is CCc1cc(CC)n(C2Cc3ccc(OC)cc3C2N)n1.
What is the InChIKey of 2-(3,5-diethylpyrazol-1-yl)-6-methoxy-2,3-dihydro-1H-inden-1-amine?
The InChIKey is KRZQDNVVJASLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-4-12-9-13(5-2)20(19-12)16-8-11-6-7-14(21-3)10-15(11)17(16)18/h6-7,9-10,16-17H,4-5,8,18H2,1-3H3.
What are the key properties of 2-(3,5-diethylpyrazol-1-yl)-6-methoxy-2,3-dihydro-1H-inden-1-amine?
2-(3,5-diethylpyrazol-1-yl)-6-methoxy-2,3-dihydro-1H-inden-1-amine has a molecular weight of 285.39 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-diethylpyrazol-1-yl)-6-methoxy-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 82695753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).