5-[[(1-benzylpyrazol-3-yl)amino]methyl]-2-methoxyphenol

C18H19N3O2 — CID 71918483

IUPAC5-[[(1-benzylpyrazol-3-yl)amino]methyl]-2-methoxyphenol
SMILESCOc1ccc(CNc2ccn(Cc3ccccc3)n2)cc1O
InChIInChI=1S/C18H19N3O2/c1-23-17-8-7-15(11-16(17)22)12-19-18-9-10-21(20-18)13-14-5-3-2-4-6-14/h2-11,22H,12-13H2,1H3,(H,19,20)
InChIKeyKBAZPSBPTXKNIP-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.26
Rot. Bonds6

About 5-[[(1-benzylpyrazol-3-yl)amino]methyl]-2-methoxyphenol

5-[[(1-benzylpyrazol-3-yl)amino]methyl]-2-methoxyphenol (PubChem CID 71918483) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 5-[[(1-benzylpyrazol-3-yl)amino]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[[(1-benzylpyrazol-3-yl)amino]methyl]-2-methoxyphenol
PubChem CID71918483
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name5-[[(1-benzylpyrazol-3-yl)amino]methyl]-2-methoxyphenol
SMILESCOc1ccc(CNc2ccn(Cc3ccccc3)n2)cc1O
InChIInChI=1S/C18H19N3O2/c1-23-17-8-7-15(11-16(17)22)12-19-18-9-10-21(20-18)13-14-5-3-2-4-6-14/h2-11,22H,12-13H2,1H3,(H,19,20)
InChIKeyKBAZPSBPTXKNIP-UHFFFAOYSA-N
XLogP3.26
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-5-[[(5-methyl-2-pyridinyl)amino]methyl]phenol
CID 71695384
6-[(3-hydroxy-4-methoxyphenyl)methylamino]pyridine-2-carbonitrile
CID 133392143
5-amino-1-benzyl-N-[(3-hydroxy-4-methoxyphenyl)methyl]-3-methylpyrazole-4-carboxamide
CID 146086480
5-[[[4-(imidazol-1-ylmethyl)phenyl]methylamino]methyl]-2-methoxyphenol;hydrochloride
CID 51114924
1-(1-benzylpyrazol-3-yl)-3-(4-methoxyphenyl)urea
CID 17266369
2-methoxy-5-[(3-pyrazol-1-ylpropylamino)methyl]phenol
CID 86812024
2-methoxy-5-[(2,4,6-trifluoroanilino)methyl]phenol
CID 58752919
5-[[(2-hydroxy-3-phenylpropyl)amino]methyl]-2-methoxyphenol
CID 111104775
1-benzyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-3-amine
CID 71969697
1-benzyl-N-prop-2-enylpyrazol-3-amine
CID 126655418
2-methoxy-5-[(2,4,6-trimethylanilino)methyl]phenol
CID 39370195
3-[[[1-(2-hydroxyethyl)pyrazol-3-yl]amino]methyl]phenol
CID 122168771

Frequently Asked Questions

What is the IUPAC name of 5-[[(1-benzylpyrazol-3-yl)amino]methyl]-2-methoxyphenol?
The IUPAC name of 5-[[(1-benzylpyrazol-3-yl)amino]methyl]-2-methoxyphenol (CID 71918483) is 5-[[(1-benzylpyrazol-3-yl)amino]methyl]-2-methoxyphenol.
What is the SMILES notation for 5-[[(1-benzylpyrazol-3-yl)amino]methyl]-2-methoxyphenol?
The canonical SMILES for 5-[[(1-benzylpyrazol-3-yl)amino]methyl]-2-methoxyphenol is COc1ccc(CNc2ccn(Cc3ccccc3)n2)cc1O.
What is the InChIKey of 5-[[(1-benzylpyrazol-3-yl)amino]methyl]-2-methoxyphenol?
The InChIKey is KBAZPSBPTXKNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-23-17-8-7-15(11-16(17)22)12-19-18-9-10-21(20-18)13-14-5-3-2-4-6-14/h2-11,22H,12-13H2,1H3,(H,19,20).
What are the key properties of 5-[[(1-benzylpyrazol-3-yl)amino]methyl]-2-methoxyphenol?
5-[[(1-benzylpyrazol-3-yl)amino]methyl]-2-methoxyphenol has a molecular weight of 309.37 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1-benzylpyrazol-3-yl)amino]methyl]-2-methoxyphenol is sourced from PubChem (CID 71918483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).