4-methyl-2-[(1H-pyrazol-4-ylamino)methyl]phenol

C11H13N3O — CID 63326553

IUPAC4-methyl-2-[(1H-pyrazol-4-ylamino)methyl]phenol
SMILESCc1ccc(O)c(CNc2cn[nH]c2)c1
InChIInChI=1S/C11H13N3O/c1-8-2-3-11(15)9(4-8)5-12-10-6-13-14-7-10/h2-4,6-7,12,15H,5H2,1H3,(H,13,14)
InChIKeyHISLWEYITJMGBW-UHFFFAOYSA-N
MW203.25 g/mol
LogP2.04
Rot. Bonds3

About 4-methyl-2-[(1H-pyrazol-4-ylamino)methyl]phenol

4-methyl-2-[(1H-pyrazol-4-ylamino)methyl]phenol (PubChem CID 63326553) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 4-methyl-2-[(1H-pyrazol-4-ylamino)methyl]phenol.

Molecular Properties

Compound Name4-methyl-2-[(1H-pyrazol-4-ylamino)methyl]phenol
PubChem CID63326553
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name4-methyl-2-[(1H-pyrazol-4-ylamino)methyl]phenol
SMILESCc1ccc(O)c(CNc2cn[nH]c2)c1
InChIInChI=1S/C11H13N3O/c1-8-2-3-11(15)9(4-8)5-12-10-6-13-14-7-10/h2-4,6-7,12,15H,5H2,1H3,(H,13,14)
InChIKeyHISLWEYITJMGBW-UHFFFAOYSA-N
XLogP2.04
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(4-hydroxyanilino)methyl]-4-methylphenol
CID 55205511
2-[[(6-bromo-3-pyridinyl)amino]methyl]-4-methylphenol
CID 103934339
N-[(3-methylphenyl)methyl]-1H-pyrazol-4-amine
CID 43540108
2-[(3,4-dimethylanilino)methyl]-4-methylphenol
CID 63323211
2-[(3,5-difluoroanilino)methyl]-4-methylphenol
CID 63323682
2-[[(6-bromo-5-methyl-3-pyridinyl)amino]methyl]-4-methylphenol
CID 113379903
methyl 4-[(2-hydroxy-5-methylphenyl)methylamino]benzoate
CID 63326548
2-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-4-methylphenol
CID 63326681
2-[(3-fluoroanilino)methyl]-4-methylphenol
CID 63323256
4-methyl-2-[(4-methylsulfonylanilino)methyl]phenol
CID 63323424
2-[[4-(diethylamino)anilino]methyl]-4-methylphenol
CID 63326694
2-[4-[(2-hydroxy-5-methylphenyl)methylamino]phenoxy]acetonitrile
CID 63323564

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(1H-pyrazol-4-ylamino)methyl]phenol?
The IUPAC name of 4-methyl-2-[(1H-pyrazol-4-ylamino)methyl]phenol (CID 63326553) is 4-methyl-2-[(1H-pyrazol-4-ylamino)methyl]phenol.
What is the SMILES notation for 4-methyl-2-[(1H-pyrazol-4-ylamino)methyl]phenol?
The canonical SMILES for 4-methyl-2-[(1H-pyrazol-4-ylamino)methyl]phenol is Cc1ccc(O)c(CNc2cn[nH]c2)c1.
What is the InChIKey of 4-methyl-2-[(1H-pyrazol-4-ylamino)methyl]phenol?
The InChIKey is HISLWEYITJMGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-8-2-3-11(15)9(4-8)5-12-10-6-13-14-7-10/h2-4,6-7,12,15H,5H2,1H3,(H,13,14).
What are the key properties of 4-methyl-2-[(1H-pyrazol-4-ylamino)methyl]phenol?
4-methyl-2-[(1H-pyrazol-4-ylamino)methyl]phenol has a molecular weight of 203.25 g/mol, XLogP of 2.04, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(1H-pyrazol-4-ylamino)methyl]phenol is sourced from PubChem (CID 63326553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).