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

C16H21N3O — CID 103570945

IUPAC[2-(aminomethyl)-1,3-dihydroinden-2-yl]-(1-ethylpyrazol-4-yl)methanol
SMILESCCn1cc(C(O)C2(CN)Cc3ccccc3C2)cn1
InChIInChI=1S/C16H21N3O/c1-2-19-10-14(9-18-19)15(20)16(11-17)7-12-5-3-4-6-13(12)8-16/h3-6,9-10,15,20H,2,7-8,11,17H2,1H3
InChIKeyQICUIGWCEUMZHS-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.68
Rot. Bonds4

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

[2-(aminomethyl)-1,3-dihydroinden-2-yl]-(1-ethylpyrazol-4-yl)methanol (PubChem CID 103570945) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is [2-(aminomethyl)-1,3-dihydroinden-2-yl]-(1-ethylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name[2-(aminomethyl)-1,3-dihydroinden-2-yl]-(1-ethylpyrazol-4-yl)methanol
PubChem CID103570945
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name[2-(aminomethyl)-1,3-dihydroinden-2-yl]-(1-ethylpyrazol-4-yl)methanol
SMILESCCn1cc(C(O)C2(CN)Cc3ccccc3C2)cn1
InChIInChI=1S/C16H21N3O/c1-2-19-10-14(9-18-19)15(20)16(11-17)7-12-5-3-4-6-13(12)8-16/h3-6,9-10,15,20H,2,7-8,11,17H2,1H3
InChIKeyQICUIGWCEUMZHS-UHFFFAOYSA-N
XLogP1.68
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-1,3-dihydroinden-2-yl]-(1-ethylpyrazol-4-yl)methanol?
The IUPAC name of [2-(aminomethyl)-1,3-dihydroinden-2-yl]-(1-ethylpyrazol-4-yl)methanol (CID 103570945) is [2-(aminomethyl)-1,3-dihydroinden-2-yl]-(1-ethylpyrazol-4-yl)methanol.
What is the SMILES notation for [2-(aminomethyl)-1,3-dihydroinden-2-yl]-(1-ethylpyrazol-4-yl)methanol?
The canonical SMILES for [2-(aminomethyl)-1,3-dihydroinden-2-yl]-(1-ethylpyrazol-4-yl)methanol is CCn1cc(C(O)C2(CN)Cc3ccccc3C2)cn1.
What is the InChIKey of [2-(aminomethyl)-1,3-dihydroinden-2-yl]-(1-ethylpyrazol-4-yl)methanol?
The InChIKey is QICUIGWCEUMZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-2-19-10-14(9-18-19)15(20)16(11-17)7-12-5-3-4-6-13(12)8-16/h3-6,9-10,15,20H,2,7-8,11,17H2,1H3.
What are the key properties of [2-(aminomethyl)-1,3-dihydroinden-2-yl]-(1-ethylpyrazol-4-yl)methanol?
[2-(aminomethyl)-1,3-dihydroinden-2-yl]-(1-ethylpyrazol-4-yl)methanol has a molecular weight of 271.36 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-1,3-dihydroinden-2-yl]-(1-ethylpyrazol-4-yl)methanol is sourced from PubChem (CID 103570945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).