4-chloro-2-methoxy-6-[[(1-methylpyrazol-3-yl)amino]methyl]phenol

C12H14ClN3O2 — CID 104646482

IUPAC4-chloro-2-methoxy-6-[[(1-methylpyrazol-3-yl)amino]methyl]phenol
SMILESCOc1cc(Cl)cc(CNc2ccn(C)n2)c1O
InChIInChI=1S/C12H14ClN3O2/c1-16-4-3-11(15-16)14-7-8-5-9(13)6-10(18-2)12(8)17/h3-6,17H,7H2,1-2H3,(H,14,15)
InChIKeyFMZVLPWDFWCFLS-UHFFFAOYSA-N
MW267.72 g/mol
LogP2.40
Rot. Bonds4

About 4-chloro-2-methoxy-6-[[(1-methylpyrazol-3-yl)amino]methyl]phenol

4-chloro-2-methoxy-6-[[(1-methylpyrazol-3-yl)amino]methyl]phenol (PubChem CID 104646482) has the molecular formula C12H14ClN3O2 and a molecular weight of 267.72 g/mol. Its IUPAC name is 4-chloro-2-methoxy-6-[[(1-methylpyrazol-3-yl)amino]methyl]phenol.

Molecular Properties

Compound Name4-chloro-2-methoxy-6-[[(1-methylpyrazol-3-yl)amino]methyl]phenol
PubChem CID104646482
Molecular FormulaC12H14ClN3O2
Molecular Weight267.72 g/mol
Exact Mass267.08
IUPAC Name4-chloro-2-methoxy-6-[[(1-methylpyrazol-3-yl)amino]methyl]phenol
SMILESCOc1cc(Cl)cc(CNc2ccn(C)n2)c1O
InChIInChI=1S/C12H14ClN3O2/c1-16-4-3-11(15-16)14-7-8-5-9(13)6-10(18-2)12(8)17/h3-6,17H,7H2,1-2H3,(H,14,15)
InChIKeyFMZVLPWDFWCFLS-UHFFFAOYSA-N
XLogP2.40
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-methoxy-6-[[2-(1-methylpyrazol-3-yl)ethylamino]methyl]phenol
CID 104651121
1-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]pyrazol-3-amine
CID 60809473
4-chloro-2-[(4-chloro-3-methoxyanilino)methyl]-6-methoxyphenol
CID 107272138
4-chloro-2-methoxy-6-[(2,4,5-trichloroanilino)methyl]phenol
CID 104663741
4-chloro-2-[(4-fluoro-2-methoxyanilino)methyl]-6-methoxyphenol
CID 104645918
4-chloro-2-[(2,3-dichloroanilino)methyl]-6-methoxyphenol
CID 104663758
N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-methylpyrazol-3-amine
CID 60810315
2-[(3-bromo-4-fluoroanilino)methyl]-4-chloro-6-methoxyphenol
CID 104775725
4-chloro-2-methoxy-6-[(2-methylbut-3-yn-2-ylamino)methyl]phenol
CID 113438659
4-chloro-2-methoxy-6-[[(4-methoxy-2,2-dimethylbutyl)amino]methyl]phenol
CID 104651095
4-chloro-2-[[[3-(dimethylamino)-2,2-dimethylpropyl]amino]methyl]-6-methoxyphenol
CID 104646031
5-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylamino]-1-ethylpyridin-2-one
CID 104663834

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methoxy-6-[[(1-methylpyrazol-3-yl)amino]methyl]phenol?
The IUPAC name of 4-chloro-2-methoxy-6-[[(1-methylpyrazol-3-yl)amino]methyl]phenol (CID 104646482) is 4-chloro-2-methoxy-6-[[(1-methylpyrazol-3-yl)amino]methyl]phenol.
What is the SMILES notation for 4-chloro-2-methoxy-6-[[(1-methylpyrazol-3-yl)amino]methyl]phenol?
The canonical SMILES for 4-chloro-2-methoxy-6-[[(1-methylpyrazol-3-yl)amino]methyl]phenol is COc1cc(Cl)cc(CNc2ccn(C)n2)c1O.
What is the InChIKey of 4-chloro-2-methoxy-6-[[(1-methylpyrazol-3-yl)amino]methyl]phenol?
The InChIKey is FMZVLPWDFWCFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2/c1-16-4-3-11(15-16)14-7-8-5-9(13)6-10(18-2)12(8)17/h3-6,17H,7H2,1-2H3,(H,14,15).
What are the key properties of 4-chloro-2-methoxy-6-[[(1-methylpyrazol-3-yl)amino]methyl]phenol?
4-chloro-2-methoxy-6-[[(1-methylpyrazol-3-yl)amino]methyl]phenol has a molecular weight of 267.72 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methoxy-6-[[(1-methylpyrazol-3-yl)amino]methyl]phenol is sourced from PubChem (CID 104646482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).