2-[2-hydroxyethyl-[(5-naphthalen-1-yl-1H-pyrazol-4-yl)methyl]amino]ethanol

C18H21N3O2 — CID 42512809

IUPAC2-[2-hydroxyethyl-[(5-naphthalen-1-yl-1H-pyrazol-4-yl)methyl]amino]ethanol
SMILESOCCN(CCO)Cc1cn[nH]c1-c1cccc2ccccc12
InChIInChI=1S/C18H21N3O2/c22-10-8-21(9-11-23)13-15-12-19-20-18(15)17-7-3-5-14-4-1-2-6-16(14)17/h1-7,12,22-23H,8-11,13H2,(H,19,20)
InChIKeyVMIWQOSPEHLILQ-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.02
Rot. Bonds7

About 2-[2-hydroxyethyl-[(5-naphthalen-1-yl-1H-pyrazol-4-yl)methyl]amino]ethanol

2-[2-hydroxyethyl-[(5-naphthalen-1-yl-1H-pyrazol-4-yl)methyl]amino]ethanol (PubChem CID 42512809) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-[2-hydroxyethyl-[(5-naphthalen-1-yl-1H-pyrazol-4-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[2-hydroxyethyl-[(5-naphthalen-1-yl-1H-pyrazol-4-yl)methyl]amino]ethanol
PubChem CID42512809
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name2-[2-hydroxyethyl-[(5-naphthalen-1-yl-1H-pyrazol-4-yl)methyl]amino]ethanol
SMILESOCCN(CCO)Cc1cn[nH]c1-c1cccc2ccccc12
InChIInChI=1S/C18H21N3O2/c22-10-8-21(9-11-23)13-15-12-19-20-18(15)17-7-3-5-14-4-1-2-6-16(14)17/h1-7,12,22-23H,8-11,13H2,(H,19,20)
InChIKeyVMIWQOSPEHLILQ-UHFFFAOYSA-N
XLogP2.02
TPSA72.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl-[(5-naphthalen-1-yl-1H-pyrazol-4-yl)methyl]amino]ethanol?
The IUPAC name of 2-[2-hydroxyethyl-[(5-naphthalen-1-yl-1H-pyrazol-4-yl)methyl]amino]ethanol (CID 42512809) is 2-[2-hydroxyethyl-[(5-naphthalen-1-yl-1H-pyrazol-4-yl)methyl]amino]ethanol.
What is the SMILES notation for 2-[2-hydroxyethyl-[(5-naphthalen-1-yl-1H-pyrazol-4-yl)methyl]amino]ethanol?
The canonical SMILES for 2-[2-hydroxyethyl-[(5-naphthalen-1-yl-1H-pyrazol-4-yl)methyl]amino]ethanol is OCCN(CCO)Cc1cn[nH]c1-c1cccc2ccccc12.
What is the InChIKey of 2-[2-hydroxyethyl-[(5-naphthalen-1-yl-1H-pyrazol-4-yl)methyl]amino]ethanol?
The InChIKey is VMIWQOSPEHLILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c22-10-8-21(9-11-23)13-15-12-19-20-18(15)17-7-3-5-14-4-1-2-6-16(14)17/h1-7,12,22-23H,8-11,13H2,(H,19,20).
What are the key properties of 2-[2-hydroxyethyl-[(5-naphthalen-1-yl-1H-pyrazol-4-yl)methyl]amino]ethanol?
2-[2-hydroxyethyl-[(5-naphthalen-1-yl-1H-pyrazol-4-yl)methyl]amino]ethanol has a molecular weight of 311.38 g/mol, XLogP of 2.02, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl-[(5-naphthalen-1-yl-1H-pyrazol-4-yl)methyl]amino]ethanol is sourced from PubChem (CID 42512809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).