2-[3,5-dimethyl-4-[(naphthalen-2-ylamino)methyl]pyrazol-1-yl]ethanol

C18H21N3O — CID 110905723

IUPAC2-[3,5-dimethyl-4-[(naphthalen-2-ylamino)methyl]pyrazol-1-yl]ethanol
SMILESCc1nn(CCO)c(C)c1CNc1ccc2ccccc2c1
InChIInChI=1S/C18H21N3O/c1-13-18(14(2)21(20-13)9-10-22)12-19-17-8-7-15-5-3-4-6-16(15)11-17/h3-8,11,19,22H,9-10,12H2,1-2H3
InChIKeyIYWQLUBSTVAIIR-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.26
Rot. Bonds5

About 2-[3,5-dimethyl-4-[(naphthalen-2-ylamino)methyl]pyrazol-1-yl]ethanol

2-[3,5-dimethyl-4-[(naphthalen-2-ylamino)methyl]pyrazol-1-yl]ethanol (PubChem CID 110905723) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 2-[3,5-dimethyl-4-[(naphthalen-2-ylamino)methyl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3,5-dimethyl-4-[(naphthalen-2-ylamino)methyl]pyrazol-1-yl]ethanol
PubChem CID110905723
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name2-[3,5-dimethyl-4-[(naphthalen-2-ylamino)methyl]pyrazol-1-yl]ethanol
SMILESCc1nn(CCO)c(C)c1CNc1ccc2ccccc2c1
InChIInChI=1S/C18H21N3O/c1-13-18(14(2)21(20-13)9-10-22)12-19-17-8-7-15-5-3-4-6-16(15)11-17/h3-8,11,19,22H,9-10,12H2,1-2H3
InChIKeyIYWQLUBSTVAIIR-UHFFFAOYSA-N
XLogP3.26
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[[3-(difluoromethoxy)anilino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
CID 110905755
2-[3,5-dimethyl-4-[(3-prop-2-enoxyanilino)methyl]pyrazol-1-yl]ethanol
CID 110906136
2-[3,5-dimethyl-4-[(4-pyrazol-1-ylanilino)methyl]pyrazol-1-yl]ethanol
CID 110905750
2-[3,5-dimethyl-4-[[3-(3-methylbutoxy)anilino]methyl]pyrazol-1-yl]ethanol
CID 110907633
2-[3,5-dimethyl-4-[[(6-methyl-2-pyridinyl)amino]methyl]pyrazol-1-yl]ethanol
CID 110905729
2-[4-[(4-cyclopentyloxyanilino)methyl]-3,5-dimethylpyrazol-1-yl]ethanol
CID 110905762
methyl 2-[4-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]phenyl]-2-methylpropanoate
CID 110017171
(3S,4S)-1-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-4-naphthalen-2-ylpiperidin-3-ol
CID 50976193
2-[3,5-dimethyl-4-[[(3-methyl-2-pyridinyl)amino]methyl]pyrazol-1-yl]ethanol
CID 110905689
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinolin-6-amine
CID 62636139
2-[3,5-dimethyl-4-[[(1-propan-2-ylpyrazol-4-yl)amino]methyl]pyrazol-1-yl]ethanol
CID 110928980
N-(5-bromonaphthalen-2-yl)-2-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 146021962

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-4-[(naphthalen-2-ylamino)methyl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[3,5-dimethyl-4-[(naphthalen-2-ylamino)methyl]pyrazol-1-yl]ethanol (CID 110905723) is 2-[3,5-dimethyl-4-[(naphthalen-2-ylamino)methyl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[3,5-dimethyl-4-[(naphthalen-2-ylamino)methyl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[3,5-dimethyl-4-[(naphthalen-2-ylamino)methyl]pyrazol-1-yl]ethanol is Cc1nn(CCO)c(C)c1CNc1ccc2ccccc2c1.
What is the InChIKey of 2-[3,5-dimethyl-4-[(naphthalen-2-ylamino)methyl]pyrazol-1-yl]ethanol?
The InChIKey is IYWQLUBSTVAIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-13-18(14(2)21(20-13)9-10-22)12-19-17-8-7-15-5-3-4-6-16(15)11-17/h3-8,11,19,22H,9-10,12H2,1-2H3.
What are the key properties of 2-[3,5-dimethyl-4-[(naphthalen-2-ylamino)methyl]pyrazol-1-yl]ethanol?
2-[3,5-dimethyl-4-[(naphthalen-2-ylamino)methyl]pyrazol-1-yl]ethanol has a molecular weight of 295.39 g/mol, XLogP of 3.26, 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-[(naphthalen-2-ylamino)methyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 110905723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).