3-[[(3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]phenol

C14H19N3O — CID 112549452

IUPAC3-[[(3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]phenol
SMILESCCc1nn(C)cc1CNCc1cccc(O)c1
InChIInChI=1S/C14H19N3O/c1-3-14-12(10-17(2)16-14)9-15-8-11-5-4-6-13(18)7-11/h4-7,10,15,18H,3,8-9H2,1-2H3
InChIKeyHCMVBPOLJONHEP-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.98
Rot. Bonds5

About 3-[[(3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]phenol

3-[[(3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]phenol (PubChem CID 112549452) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-[[(3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]phenol.

Molecular Properties

Compound Name3-[[(3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]phenol
PubChem CID112549452
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name3-[[(3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]phenol
SMILESCCc1nn(C)cc1CNCc1cccc(O)c1
InChIInChI=1S/C14H19N3O/c1-3-14-12(10-17(2)16-14)9-15-8-11-5-4-6-13(18)7-11/h4-7,10,15,18H,3,8-9H2,1-2H3
InChIKeyHCMVBPOLJONHEP-UHFFFAOYSA-N
XLogP1.98
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(3-hydroxyphenyl)acetamide
CID 115888763
3-[[(3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]benzene-1,2-diol
CID 112640155
5-[[(3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]-2-methoxyphenol
CID 115885619
2-chloro-6-[[(3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]phenol
CID 112555032
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(3-fluoro-4-methylphenyl)methanamine
CID 112549217
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine
CID 112549095
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(4-iodophenyl)methanamine
CID 112668872
2-[[(3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]-4-methylphenol
CID 112550131
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(3-methylphenyl)ethanamine
CID 112549443
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(1-ethylpyrrol-3-yl)methanamine
CID 112668399
1-(2,3-dimethylphenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]methanamine
CID 112550132
3-ethyl-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]aniline
CID 112549341

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]phenol?
The IUPAC name of 3-[[(3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]phenol (CID 112549452) is 3-[[(3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]phenol.
What is the SMILES notation for 3-[[(3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]phenol?
The canonical SMILES for 3-[[(3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]phenol is CCc1nn(C)cc1CNCc1cccc(O)c1.
What is the InChIKey of 3-[[(3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]phenol?
The InChIKey is HCMVBPOLJONHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-3-14-12(10-17(2)16-14)9-15-8-11-5-4-6-13(18)7-11/h4-7,10,15,18H,3,8-9H2,1-2H3.
What are the key properties of 3-[[(3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]phenol?
3-[[(3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]phenol has a molecular weight of 245.33 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]phenol is sourced from PubChem (CID 112549452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).