2-[3,5-dimethyl-4-[[(5-methyl-2,3-dihydro-1H-inden-1-yl)amino]methyl]pyrazol-1-yl]ethanol

C18H25N3O — CID 56820884

IUPAC2-[3,5-dimethyl-4-[[(5-methyl-2,3-dihydro-1H-inden-1-yl)amino]methyl]pyrazol-1-yl]ethanol
SMILESCc1ccc2c(c1)CCC2NCc1c(C)nn(CCO)c1C
InChIInChI=1S/C18H25N3O/c1-12-4-6-16-15(10-12)5-7-18(16)19-11-17-13(2)20-21(8-9-22)14(17)3/h4,6,10,18-19,22H,5,7-9,11H2,1-3H3
InChIKeyGNWHVCRSLBLULS-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.58
Rot. Bonds5

About 2-[3,5-dimethyl-4-[[(5-methyl-2,3-dihydro-1H-inden-1-yl)amino]methyl]pyrazol-1-yl]ethanol

2-[3,5-dimethyl-4-[[(5-methyl-2,3-dihydro-1H-inden-1-yl)amino]methyl]pyrazol-1-yl]ethanol (PubChem CID 56820884) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 2-[3,5-dimethyl-4-[[(5-methyl-2,3-dihydro-1H-inden-1-yl)amino]methyl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3,5-dimethyl-4-[[(5-methyl-2,3-dihydro-1H-inden-1-yl)amino]methyl]pyrazol-1-yl]ethanol
PubChem CID56820884
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name2-[3,5-dimethyl-4-[[(5-methyl-2,3-dihydro-1H-inden-1-yl)amino]methyl]pyrazol-1-yl]ethanol
SMILESCc1ccc2c(c1)CCC2NCc1c(C)nn(CCO)c1C
InChIInChI=1S/C18H25N3O/c1-12-4-6-16-15(10-12)5-7-18(16)19-11-17-13(2)20-21(8-9-22)14(17)3/h4,6,10,18-19,22H,5,7-9,11H2,1-3H3
InChIKeyGNWHVCRSLBLULS-UHFFFAOYSA-N
XLogP2.58
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-4-[[(5-methyl-2,3-dihydro-1H-inden-1-yl)amino]methyl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[3,5-dimethyl-4-[[(5-methyl-2,3-dihydro-1H-inden-1-yl)amino]methyl]pyrazol-1-yl]ethanol (CID 56820884) is 2-[3,5-dimethyl-4-[[(5-methyl-2,3-dihydro-1H-inden-1-yl)amino]methyl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[3,5-dimethyl-4-[[(5-methyl-2,3-dihydro-1H-inden-1-yl)amino]methyl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[3,5-dimethyl-4-[[(5-methyl-2,3-dihydro-1H-inden-1-yl)amino]methyl]pyrazol-1-yl]ethanol is Cc1ccc2c(c1)CCC2NCc1c(C)nn(CCO)c1C.
What is the InChIKey of 2-[3,5-dimethyl-4-[[(5-methyl-2,3-dihydro-1H-inden-1-yl)amino]methyl]pyrazol-1-yl]ethanol?
The InChIKey is GNWHVCRSLBLULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-12-4-6-16-15(10-12)5-7-18(16)19-11-17-13(2)20-21(8-9-22)14(17)3/h4,6,10,18-19,22H,5,7-9,11H2,1-3H3.
What are the key properties of 2-[3,5-dimethyl-4-[[(5-methyl-2,3-dihydro-1H-inden-1-yl)amino]methyl]pyrazol-1-yl]ethanol?
2-[3,5-dimethyl-4-[[(5-methyl-2,3-dihydro-1H-inden-1-yl)amino]methyl]pyrazol-1-yl]ethanol has a molecular weight of 299.42 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-4-[[(5-methyl-2,3-dihydro-1H-inden-1-yl)amino]methyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 56820884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).