[4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]phenyl]methanol

C14H19N3O2 — CID 115777892

IUPAC[4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]phenyl]methanol
SMILESCOc1c(CNc2ccc(CO)cc2)c(C)nn1C
InChIInChI=1S/C14H19N3O2/c1-10-13(14(19-3)17(2)16-10)8-15-12-6-4-11(9-18)5-7-12/h4-7,15,18H,8-9H2,1-3H3
InChIKeyDESIWNYYQLVUMJ-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.84
Rot. Bonds5

About [4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]phenyl]methanol

[4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]phenyl]methanol (PubChem CID 115777892) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is [4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]phenyl]methanol.

Molecular Properties

Compound Name[4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]phenyl]methanol
PubChem CID115777892
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name[4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]phenyl]methanol
SMILESCOc1c(CNc2ccc(CO)cc2)c(C)nn1C
InChIInChI=1S/C14H19N3O2/c1-10-13(14(19-3)17(2)16-10)8-15-12-6-4-11(9-18)5-7-12/h4-7,15,18H,8-9H2,1-3H3
InChIKeyDESIWNYYQLVUMJ-UHFFFAOYSA-N
XLogP1.84
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]phenyl]methanol with MolForge

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Related Compounds

4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]benzonitrile
CID 86792690
4-fluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-methylaniline
CID 115777064
3-chloro-4-methoxy-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]aniline
CID 115628881
3,5-dichloro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]aniline
CID 115909528
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1,3-benzodioxol-5-amine
CID 115742828
4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]aniline
CID 99608139
[4-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]oxyphenyl]methanol
CID 61228953
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2,6-dimethylpyridin-3-amine
CID 104624437
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-methylaniline
CID 115884025
6-methoxy-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpyridin-3-amine
CID 86791062
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-methylsulfanylaniline
CID 115884163
2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propane-1,3-diol
CID 115655444

Frequently Asked Questions

What is the IUPAC name of [4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]phenyl]methanol?
The IUPAC name of [4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]phenyl]methanol (CID 115777892) is [4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]phenyl]methanol.
What is the SMILES notation for [4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]phenyl]methanol?
The canonical SMILES for [4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]phenyl]methanol is COc1c(CNc2ccc(CO)cc2)c(C)nn1C.
What is the InChIKey of [4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]phenyl]methanol?
The InChIKey is DESIWNYYQLVUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-10-13(14(19-3)17(2)16-10)8-15-12-6-4-11(9-18)5-7-12/h4-7,15,18H,8-9H2,1-3H3.
What are the key properties of [4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]phenyl]methanol?
[4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]phenyl]methanol has a molecular weight of 261.32 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]phenyl]methanol is sourced from PubChem (CID 115777892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).