2-methoxy-4-[[(1,3,5-trimethylpyrazol-4-yl)amino]methyl]phenol

C14H19N3O2 — CID 28664303

IUPAC2-methoxy-4-[[(1,3,5-trimethylpyrazol-4-yl)amino]methyl]phenol
SMILESCOc1cc(CNc2c(C)nn(C)c2C)ccc1O
InChIInChI=1S/C14H19N3O2/c1-9-14(10(2)17(3)16-9)15-8-11-5-6-12(18)13(7-11)19-4/h5-7,15,18H,8H2,1-4H3
InChIKeyPRWCEZBTRRUAIO-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.36
Rot. Bonds4

About 2-methoxy-4-[[(1,3,5-trimethylpyrazol-4-yl)amino]methyl]phenol

2-methoxy-4-[[(1,3,5-trimethylpyrazol-4-yl)amino]methyl]phenol (PubChem CID 28664303) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-methoxy-4-[[(1,3,5-trimethylpyrazol-4-yl)amino]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[[(1,3,5-trimethylpyrazol-4-yl)amino]methyl]phenol
PubChem CID28664303
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-methoxy-4-[[(1,3,5-trimethylpyrazol-4-yl)amino]methyl]phenol
SMILESCOc1cc(CNc2c(C)nn(C)c2C)ccc1O
InChIInChI=1S/C14H19N3O2/c1-9-14(10(2)17(3)16-9)15-8-11-5-6-12(18)13(7-11)19-4/h5-7,15,18H,8H2,1-4H3
InChIKeyPRWCEZBTRRUAIO-UHFFFAOYSA-N
XLogP2.36
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(1,5-dimethylpyrazol-3-yl)amino]methyl]-2-methoxyphenol;hydrochloride
CID 126965279
4-[[(1,4-dimethylpyrazol-5-yl)amino]methyl]-2-methoxyphenol;hydrochloride
CID 126965332
N-[(3,4-difluorophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
CID 28664340
4-[[(1-ethyl-3-methylpyrazol-4-yl)amino]methyl]-2-methoxyphenol
CID 19627604
2-methoxy-4-[[(3-methyl-1-propylpyrazol-4-yl)amino]methyl]phenol;hydrochloride
CID 126965311
methyl 4-[[(1,3,5-trimethylpyrazol-4-yl)amino]methyl]benzoate
CID 28664573
2-methoxy-4-[(4-methylanilino)methyl]phenol
CID 4093534
N-[(4-tert-butylphenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
CID 28554082
N-[(4-fluorophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
CID 28664304
N-[(4-bromophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
CID 28664301
4-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-2-methoxyphenol;hydrochloride
CID 126964973
2-[(4-hydroxy-3-methoxyphenyl)methylamino]-4-methylphenol
CID 83320633

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[[(1,3,5-trimethylpyrazol-4-yl)amino]methyl]phenol?
The IUPAC name of 2-methoxy-4-[[(1,3,5-trimethylpyrazol-4-yl)amino]methyl]phenol (CID 28664303) is 2-methoxy-4-[[(1,3,5-trimethylpyrazol-4-yl)amino]methyl]phenol.
What is the SMILES notation for 2-methoxy-4-[[(1,3,5-trimethylpyrazol-4-yl)amino]methyl]phenol?
The canonical SMILES for 2-methoxy-4-[[(1,3,5-trimethylpyrazol-4-yl)amino]methyl]phenol is COc1cc(CNc2c(C)nn(C)c2C)ccc1O.
What is the InChIKey of 2-methoxy-4-[[(1,3,5-trimethylpyrazol-4-yl)amino]methyl]phenol?
The InChIKey is PRWCEZBTRRUAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-9-14(10(2)17(3)16-9)15-8-11-5-6-12(18)13(7-11)19-4/h5-7,15,18H,8H2,1-4H3.
What are the key properties of 2-methoxy-4-[[(1,3,5-trimethylpyrazol-4-yl)amino]methyl]phenol?
2-methoxy-4-[[(1,3,5-trimethylpyrazol-4-yl)amino]methyl]phenol has a molecular weight of 261.32 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[[(1,3,5-trimethylpyrazol-4-yl)amino]methyl]phenol is sourced from PubChem (CID 28664303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).