2-[[(2-methylpyrazol-3-yl)amino]methyl]phenol

C11H13N3O — CID 19627565

IUPAC2-[[(2-methylpyrazol-3-yl)amino]methyl]phenol
SMILESCn1nccc1NCc1ccccc1O
InChIInChI=1S/C11H13N3O/c1-14-11(6-7-13-14)12-8-9-4-2-3-5-10(9)15/h2-7,12,15H,8H2,1H3
InChIKeyXCXQLKUFSDKCIO-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.74
Rot. Bonds3

About 2-[[(2-methylpyrazol-3-yl)amino]methyl]phenol

2-[[(2-methylpyrazol-3-yl)amino]methyl]phenol (PubChem CID 19627565) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 2-[[(2-methylpyrazol-3-yl)amino]methyl]phenol.

Molecular Properties

Compound Name2-[[(2-methylpyrazol-3-yl)amino]methyl]phenol
PubChem CID19627565
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name2-[[(2-methylpyrazol-3-yl)amino]methyl]phenol
SMILESCn1nccc1NCc1ccccc1O
InChIInChI=1S/C11H13N3O/c1-14-11(6-7-13-14)12-8-9-4-2-3-5-10(9)15/h2-7,12,15H,8H2,1H3
InChIKeyXCXQLKUFSDKCIO-UHFFFAOYSA-N
XLogP1.74
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,3-dimethylphenyl)methyl]-2-methylpyrazol-3-amine
CID 71916690
2-[[(2-propan-2-ylpyrazol-3-yl)amino]methyl]phenol
CID 122168791
2-(2-methoxyphenyl)-N-(2-methylpyrazol-3-yl)acetamide
CID 112536636
6-[(2-hydroxyphenyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 115598698
2-methyl-N-phenylpyrazol-3-amine
CID 57184010
N'-(2-methylpyrazol-3-yl)propane-1,3-diamine
CID 63963092
2-methyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-3-amine
CID 115702920
5-[[(2-methylpyrazol-3-yl)amino]methyl]thiophene-2-carbonitrile
CID 115702876
N'-methyl-N-(2-methylpyrazol-3-yl)benzenecarboximidamide
CID 121015575
N-(2-methylpyrazol-3-yl)-2-pyridin-4-ylacetamide
CID 112536624
(2-methylpyrazol-3-yl)carbamodithioic acid
CID 14516770
2-hydroxy-2-methyl-N-(2-methylpyrazol-3-yl)propanamide
CID 103429823

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-methylpyrazol-3-yl)amino]methyl]phenol?
The IUPAC name of 2-[[(2-methylpyrazol-3-yl)amino]methyl]phenol (CID 19627565) is 2-[[(2-methylpyrazol-3-yl)amino]methyl]phenol.
What is the SMILES notation for 2-[[(2-methylpyrazol-3-yl)amino]methyl]phenol?
The canonical SMILES for 2-[[(2-methylpyrazol-3-yl)amino]methyl]phenol is Cn1nccc1NCc1ccccc1O.
What is the InChIKey of 2-[[(2-methylpyrazol-3-yl)amino]methyl]phenol?
The InChIKey is XCXQLKUFSDKCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-14-11(6-7-13-14)12-8-9-4-2-3-5-10(9)15/h2-7,12,15H,8H2,1H3.
What are the key properties of 2-[[(2-methylpyrazol-3-yl)amino]methyl]phenol?
2-[[(2-methylpyrazol-3-yl)amino]methyl]phenol has a molecular weight of 203.25 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-methylpyrazol-3-yl)amino]methyl]phenol is sourced from PubChem (CID 19627565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).