2-[(1-methylpyrazol-4-yl)methylamino]phenol

C11H13N3O — CID 19614710

IUPAC2-[(1-methylpyrazol-4-yl)methylamino]phenol
SMILESCn1cc(CNc2ccccc2O)cn1
InChIInChI=1S/C11H13N3O/c1-14-8-9(7-13-14)6-12-10-4-2-3-5-11(10)15/h2-5,7-8,12,15H,6H2,1H3
InChIKeyRDGFCUNCAFBUHE-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.74
Rot. Bonds3

About 2-[(1-methylpyrazol-4-yl)methylamino]phenol

2-[(1-methylpyrazol-4-yl)methylamino]phenol (PubChem CID 19614710) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 2-[(1-methylpyrazol-4-yl)methylamino]phenol.

Molecular Properties

Compound Name2-[(1-methylpyrazol-4-yl)methylamino]phenol
PubChem CID19614710
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name2-[(1-methylpyrazol-4-yl)methylamino]phenol
SMILESCn1cc(CNc2ccccc2O)cn1
InChIInChI=1S/C11H13N3O/c1-14-8-9(7-13-14)6-12-10-4-2-3-5-11(10)15/h2-5,7-8,12,15H,6H2,1H3
InChIKeyRDGFCUNCAFBUHE-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': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 28600445
2,3-dichloro-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 28774430
2-ethylsulfonyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 43738150
2-methyl-2-[2-[(1-methylpyrazol-4-yl)methylamino]phenyl]propanoic acid
CID 82539391
N-[(1-methylpyrazol-4-yl)methyl]-2-piperidin-1-ylaniline
CID 28647376
N-[(1-methylpyrazol-4-yl)methyl]cinnolin-4-amine
CID 55214546
2-(2,2-difluoroethoxy)-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 71917733
2-cyclopentylsulfanyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 43737702
2-fluoro-6-[(1-methylpyrazol-4-yl)methylamino]benzoic acid
CID 79522275
N,2-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]benzamide
CID 43734492
2-chloro-6-[(1-methylpyrazol-4-yl)methylamino]benzonitrile
CID 61361195
N-[(1-methylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride
CID 126966764

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpyrazol-4-yl)methylamino]phenol?
The IUPAC name of 2-[(1-methylpyrazol-4-yl)methylamino]phenol (CID 19614710) is 2-[(1-methylpyrazol-4-yl)methylamino]phenol.
What is the SMILES notation for 2-[(1-methylpyrazol-4-yl)methylamino]phenol?
The canonical SMILES for 2-[(1-methylpyrazol-4-yl)methylamino]phenol is Cn1cc(CNc2ccccc2O)cn1.
What is the InChIKey of 2-[(1-methylpyrazol-4-yl)methylamino]phenol?
The InChIKey is RDGFCUNCAFBUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-14-8-9(7-13-14)6-12-10-4-2-3-5-11(10)15/h2-5,7-8,12,15H,6H2,1H3.
What are the key properties of 2-[(1-methylpyrazol-4-yl)methylamino]phenol?
2-[(1-methylpyrazol-4-yl)methylamino]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-[(1-methylpyrazol-4-yl)methylamino]phenol is sourced from PubChem (CID 19614710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).