3-[[2-(pyrazol-1-ylmethyl)anilino]methyl]phenol

C17H17N3O — CID 43693851

IUPAC3-[[2-(pyrazol-1-ylmethyl)anilino]methyl]phenol
SMILESOc1cccc(CNc2ccccc2Cn2cccn2)c1
InChIInChI=1S/C17H17N3O/c21-16-7-3-5-14(11-16)12-18-17-8-2-1-6-15(17)13-20-10-4-9-19-20/h1-11,18,21H,12-13H2
InChIKeyQHPCZUOXAFGXMN-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.25
Rot. Bonds5

About 3-[[2-(pyrazol-1-ylmethyl)anilino]methyl]phenol

3-[[2-(pyrazol-1-ylmethyl)anilino]methyl]phenol (PubChem CID 43693851) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-[[2-(pyrazol-1-ylmethyl)anilino]methyl]phenol.

Molecular Properties

Compound Name3-[[2-(pyrazol-1-ylmethyl)anilino]methyl]phenol
PubChem CID43693851
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name3-[[2-(pyrazol-1-ylmethyl)anilino]methyl]phenol
SMILESOc1cccc(CNc2ccccc2Cn2cccn2)c1
InChIInChI=1S/C17H17N3O/c21-16-7-3-5-14(11-16)12-18-17-8-2-1-6-15(17)13-20-10-4-9-19-20/h1-11,18,21H,12-13H2
InChIKeyQHPCZUOXAFGXMN-UHFFFAOYSA-N
XLogP3.25
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(pyrazol-1-ylmethyl)phenol
CID 24745197
N-[(1-ethylpyrazol-4-yl)methyl]-2-(pyrazol-1-ylmethyl)aniline
CID 103818614
N-[(2-fluorophenyl)methyl]-2-(pyrazol-1-ylmethyl)aniline
CID 43693889
3-[[2-(diethylaminomethyl)anilino]methyl]phenol
CID 43729325
N-[(4-chlorothiophen-2-yl)methyl]-2-(pyrazol-1-ylmethyl)aniline
CID 79419714
3-[[(2-pyrazol-1-ylphenyl)methylamino]methyl]phenol
CID 47067947
3-[[[1-(2-hydroxyethyl)pyrazol-3-yl]amino]methyl]phenol
CID 122168771
2-[[2-(pyrazol-1-ylmethyl)anilino]methylidene]propanedinitrile
CID 168545313
3-[[(1-ethyl-5-methylpyrazol-4-yl)amino]methyl]phenol
CID 122168784
3-[[2-(dimethylamino)anilino]methyl]phenol
CID 43726536
2-methyl-1-[(3-methylphenyl)methyl]-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine
CID 111850782
3-[[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]methyl]phenol
CID 61168294

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(pyrazol-1-ylmethyl)anilino]methyl]phenol?
The IUPAC name of 3-[[2-(pyrazol-1-ylmethyl)anilino]methyl]phenol (CID 43693851) is 3-[[2-(pyrazol-1-ylmethyl)anilino]methyl]phenol.
What is the SMILES notation for 3-[[2-(pyrazol-1-ylmethyl)anilino]methyl]phenol?
The canonical SMILES for 3-[[2-(pyrazol-1-ylmethyl)anilino]methyl]phenol is Oc1cccc(CNc2ccccc2Cn2cccn2)c1.
What is the InChIKey of 3-[[2-(pyrazol-1-ylmethyl)anilino]methyl]phenol?
The InChIKey is QHPCZUOXAFGXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c21-16-7-3-5-14(11-16)12-18-17-8-2-1-6-15(17)13-20-10-4-9-19-20/h1-11,18,21H,12-13H2.
What are the key properties of 3-[[2-(pyrazol-1-ylmethyl)anilino]methyl]phenol?
3-[[2-(pyrazol-1-ylmethyl)anilino]methyl]phenol has a molecular weight of 279.34 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(pyrazol-1-ylmethyl)anilino]methyl]phenol is sourced from PubChem (CID 43693851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).