4-[[(1-ethyl-3-methylpyrazol-4-yl)amino]methyl]-2-methoxyphenol

C14H19N3O2 — CID 19627604

IUPAC4-[[(1-ethyl-3-methylpyrazol-4-yl)amino]methyl]-2-methoxyphenol
SMILESCCn1cc(NCc2ccc(O)c(OC)c2)c(C)n1
InChIInChI=1S/C14H19N3O2/c1-4-17-9-12(10(2)16-17)15-8-11-5-6-13(18)14(7-11)19-3/h5-7,9,15,18H,4,8H2,1-3H3
InChIKeyOVUKTNLLUZZKNS-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.54
Rot. Bonds5

About 4-[[(1-ethyl-3-methylpyrazol-4-yl)amino]methyl]-2-methoxyphenol

4-[[(1-ethyl-3-methylpyrazol-4-yl)amino]methyl]-2-methoxyphenol (PubChem CID 19627604) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-[[(1-ethyl-3-methylpyrazol-4-yl)amino]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[[(1-ethyl-3-methylpyrazol-4-yl)amino]methyl]-2-methoxyphenol
PubChem CID19627604
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name4-[[(1-ethyl-3-methylpyrazol-4-yl)amino]methyl]-2-methoxyphenol
SMILESCCn1cc(NCc2ccc(O)c(OC)c2)c(C)n1
InChIInChI=1S/C14H19N3O2/c1-4-17-9-12(10(2)16-17)15-8-11-5-6-13(18)14(7-11)19-3/h5-7,9,15,18H,4,8H2,1-3H3
InChIKeyOVUKTNLLUZZKNS-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-4-[[(3-methyl-1-propylpyrazol-4-yl)amino]methyl]phenol;hydrochloride
CID 126965311
1-ethyl-N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]-3-methylpyrazol-4-amine
CID 19625954
2-methoxy-4-[[(1,3,5-trimethylpyrazol-4-yl)amino]methyl]phenol
CID 28664303
2-[(4-hydroxy-3-methoxyphenyl)methylamino]-4-methylphenol
CID 83320633
N-[(3-ethoxy-4-methoxyphenyl)methyl]-1,3-dimethylpyrazol-4-amine
CID 103866845
N-benzyl-1-ethyl-3-methylpyrazol-4-amine;hydrochloride
CID 126964772
4-[[(1-ethylpyrazol-3-yl)methylamino]methyl]-2-methoxyphenol
CID 19627503
4-[[(1,5-dimethylpyrazol-3-yl)amino]methyl]-2-methoxyphenol;hydrochloride
CID 126965279
4-[(5-bromo-2-methylanilino)methyl]-2-methoxyphenol
CID 43729448
4-[(2-bromo-5-methylanilino)methyl]-2-methoxyphenol
CID 82762170
2-methoxy-4-[(4-methylanilino)methyl]phenol
CID 4093534
4-[(2-iodoanilino)methyl]-2-methoxyphenol
CID 28978282

Frequently Asked Questions

What is the IUPAC name of 4-[[(1-ethyl-3-methylpyrazol-4-yl)amino]methyl]-2-methoxyphenol?
The IUPAC name of 4-[[(1-ethyl-3-methylpyrazol-4-yl)amino]methyl]-2-methoxyphenol (CID 19627604) is 4-[[(1-ethyl-3-methylpyrazol-4-yl)amino]methyl]-2-methoxyphenol.
What is the SMILES notation for 4-[[(1-ethyl-3-methylpyrazol-4-yl)amino]methyl]-2-methoxyphenol?
The canonical SMILES for 4-[[(1-ethyl-3-methylpyrazol-4-yl)amino]methyl]-2-methoxyphenol is CCn1cc(NCc2ccc(O)c(OC)c2)c(C)n1.
What is the InChIKey of 4-[[(1-ethyl-3-methylpyrazol-4-yl)amino]methyl]-2-methoxyphenol?
The InChIKey is OVUKTNLLUZZKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-4-17-9-12(10(2)16-17)15-8-11-5-6-13(18)14(7-11)19-3/h5-7,9,15,18H,4,8H2,1-3H3.
What are the key properties of 4-[[(1-ethyl-3-methylpyrazol-4-yl)amino]methyl]-2-methoxyphenol?
4-[[(1-ethyl-3-methylpyrazol-4-yl)amino]methyl]-2-methoxyphenol has a molecular weight of 261.32 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-ethyl-3-methylpyrazol-4-yl)amino]methyl]-2-methoxyphenol is sourced from PubChem (CID 19627604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).