2-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-4-methylphenol

C13H17N3O — CID 63326681

IUPAC2-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-4-methylphenol
SMILESCc1ccc(O)c(CNc2c(C)n[nH]c2C)c1
InChIInChI=1S/C13H17N3O/c1-8-4-5-12(17)11(6-8)7-14-13-9(2)15-16-10(13)3/h4-6,14,17H,7H2,1-3H3,(H,15,16)
InChIKeyYEOOLPAZRKEHCK-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.65
Rot. Bonds3

About 2-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-4-methylphenol

2-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-4-methylphenol (PubChem CID 63326681) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-4-methylphenol.

Molecular Properties

Compound Name2-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-4-methylphenol
PubChem CID63326681
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-4-methylphenol
SMILESCc1ccc(O)c(CNc2c(C)n[nH]c2C)c1
InChIInChI=1S/C13H17N3O/c1-8-4-5-12(17)11(6-8)7-14-13-9(2)15-16-10(13)3/h4-6,14,17H,7H2,1-3H3,(H,15,16)
InChIKeyYEOOLPAZRKEHCK-UHFFFAOYSA-N
XLogP2.65
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.65
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

N-[(2-ethylphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
CID 55066721
N-[(4-chloro-2-methylphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
CID 114075363
N-[(2-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
CID 43547239
N-[(2-bromophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
CID 43547216
5-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-2-methoxyphenol
CID 43547406
2-[(4-hydroxyanilino)methyl]-4-methylphenol
CID 55205511
4-methyl-2-[(1H-pyrazol-4-ylamino)methyl]phenol
CID 63326553
N-[(5-chloro-2-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
CID 54905308
3,5-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-4-amine
CID 43547425
2-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-6-ethoxyphenol
CID 43547329
2-[(3,4-dimethylanilino)methyl]-4-methylphenol
CID 63323211
2-[(3,5-difluoroanilino)methyl]-4-methylphenol
CID 63323682

Frequently Asked Questions

What is the IUPAC name of 2-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-4-methylphenol?
The IUPAC name of 2-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-4-methylphenol (CID 63326681) is 2-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-4-methylphenol.
What is the SMILES notation for 2-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-4-methylphenol?
The canonical SMILES for 2-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-4-methylphenol is Cc1ccc(O)c(CNc2c(C)n[nH]c2C)c1.
What is the InChIKey of 2-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-4-methylphenol?
The InChIKey is YEOOLPAZRKEHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-8-4-5-12(17)11(6-8)7-14-13-9(2)15-16-10(13)3/h4-6,14,17H,7H2,1-3H3,(H,15,16).
What are the key properties of 2-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-4-methylphenol?
2-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-4-methylphenol has a molecular weight of 231.30 g/mol, XLogP of 2.65, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-4-methylphenol is sourced from PubChem (CID 63326681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).