4-[[(1-ethylpyrazol-3-yl)methylamino]methyl]-2-methoxyphenol

C14H19N3O2 — CID 19627503

IUPAC4-[[(1-ethylpyrazol-3-yl)methylamino]methyl]-2-methoxyphenol
SMILESCCn1ccc(CNCc2ccc(O)c(OC)c2)n1
InChIInChI=1S/C14H19N3O2/c1-3-17-7-6-12(16-17)10-15-9-11-4-5-13(18)14(8-11)19-2/h4-8,15,18H,3,9-10H2,1-2H3
InChIKeyUYZHVKDDJYRTSC-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.91
Rot. Bonds6

About 4-[[(1-ethylpyrazol-3-yl)methylamino]methyl]-2-methoxyphenol

4-[[(1-ethylpyrazol-3-yl)methylamino]methyl]-2-methoxyphenol (PubChem CID 19627503) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-[[(1-ethylpyrazol-3-yl)methylamino]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[[(1-ethylpyrazol-3-yl)methylamino]methyl]-2-methoxyphenol
PubChem CID19627503
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name4-[[(1-ethylpyrazol-3-yl)methylamino]methyl]-2-methoxyphenol
SMILESCCn1ccc(CNCc2ccc(O)c(OC)c2)n1
InChIInChI=1S/C14H19N3O2/c1-3-17-7-6-12(16-17)10-15-9-11-4-5-13(18)14(8-11)19-2/h4-8,15,18H,3,9-10H2,1-2H3
InChIKeyUYZHVKDDJYRTSC-UHFFFAOYSA-N
XLogP1.91
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-4-[[(1-propylpyrazol-3-yl)methylamino]methyl]phenol
CID 122168170
2-methoxy-4-[[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methylamino]methyl]phenol;hydrochloride
CID 126966828
N-[(2,6-dimethoxyphenyl)methyl]-1-(1-ethylpyrazol-3-yl)methanamine
CID 19623033
4-[[(1-ethyl-3-methylpyrazol-4-yl)amino]methyl]-2-methoxyphenol
CID 19627604
4-[[(4-bromophenyl)methylamino]methyl]-2-methoxyphenol
CID 60735101
N-[(1-ethylpyrazol-3-yl)methyl]-2-(4-methoxyphenyl)ethanamine
CID 19619321
2-methoxy-4-[(nonylamino)methyl]phenol
CID 15788102
4-[[(3-bromophenyl)methylamino]methyl]-2-methoxyphenol
CID 61400923
2-[[2-[(4-hydroxy-3-methoxyphenyl)methylamino]acetyl]amino]acetic acid
CID 82364245
1-(1-ethylpyrazol-3-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 122166991
2-methoxy-4-[[(1-methylpyrazol-3-yl)methylamino]methyl]benzonitrile
CID 106787787
4-[[4-(diethylamino)butylamino]methyl]-2-methoxyphenol
CID 82364248

Frequently Asked Questions

What is the IUPAC name of 4-[[(1-ethylpyrazol-3-yl)methylamino]methyl]-2-methoxyphenol?
The IUPAC name of 4-[[(1-ethylpyrazol-3-yl)methylamino]methyl]-2-methoxyphenol (CID 19627503) is 4-[[(1-ethylpyrazol-3-yl)methylamino]methyl]-2-methoxyphenol.
What is the SMILES notation for 4-[[(1-ethylpyrazol-3-yl)methylamino]methyl]-2-methoxyphenol?
The canonical SMILES for 4-[[(1-ethylpyrazol-3-yl)methylamino]methyl]-2-methoxyphenol is CCn1ccc(CNCc2ccc(O)c(OC)c2)n1.
What is the InChIKey of 4-[[(1-ethylpyrazol-3-yl)methylamino]methyl]-2-methoxyphenol?
The InChIKey is UYZHVKDDJYRTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-3-17-7-6-12(16-17)10-15-9-11-4-5-13(18)14(8-11)19-2/h4-8,15,18H,3,9-10H2,1-2H3.
What are the key properties of 4-[[(1-ethylpyrazol-3-yl)methylamino]methyl]-2-methoxyphenol?
4-[[(1-ethylpyrazol-3-yl)methylamino]methyl]-2-methoxyphenol has a molecular weight of 261.32 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-ethylpyrazol-3-yl)methylamino]methyl]-2-methoxyphenol is sourced from PubChem (CID 19627503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).