[3-[[(2-ethylpyrazol-3-yl)methylamino]methyl]phenyl]methanol

C14H19N3O — CID 113334884

IUPAC[3-[[(2-ethylpyrazol-3-yl)methylamino]methyl]phenyl]methanol
SMILESCCn1nccc1CNCc1cccc(CO)c1
InChIInChI=1S/C14H19N3O/c1-2-17-14(6-7-16-17)10-15-9-12-4-3-5-13(8-12)11-18/h3-8,15,18H,2,9-11H2,1H3
InChIKeyOPJORFRCXNBQEH-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.69
Rot. Bonds6

About [3-[[(2-ethylpyrazol-3-yl)methylamino]methyl]phenyl]methanol

[3-[[(2-ethylpyrazol-3-yl)methylamino]methyl]phenyl]methanol (PubChem CID 113334884) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is [3-[[(2-ethylpyrazol-3-yl)methylamino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[[(2-ethylpyrazol-3-yl)methylamino]methyl]phenyl]methanol
PubChem CID113334884
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name[3-[[(2-ethylpyrazol-3-yl)methylamino]methyl]phenyl]methanol
SMILESCCn1nccc1CNCc1cccc(CO)c1
InChIInChI=1S/C14H19N3O/c1-2-17-14(6-7-16-17)10-15-9-12-4-3-5-13(8-12)11-18/h3-8,15,18H,2,9-11H2,1H3
InChIKeyOPJORFRCXNBQEH-UHFFFAOYSA-N
XLogP1.69
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethylpyrazol-3-yl)-N-[(2-propylpyrazol-3-yl)methyl]methanamine
CID 19625523
3-[[[2-(2-fluoroethyl)pyrazol-3-yl]methylamino]methyl]phenol
CID 122168551
N-[(2-ethylpyrazol-3-yl)methyl]-1-[4-methoxy-3-(methoxymethyl)phenyl]methanamine
CID 19625048
1-cyclopropyl-N-[(2-ethylpyrazol-3-yl)methyl]methanamine
CID 115761680
2-[2-[(2-ethylpyrazol-3-yl)methylamino]ethoxy]ethanol
CID 75525234
N-ethyl-N-[[5-[[(2-ethylpyrazol-3-yl)methylamino]methyl]-2-methoxyphenyl]methyl]ethanamine
CID 19625042
[3-[[(4-ethoxyphenyl)methylamino]methyl]phenyl]methanol
CID 103648633
1-(2-ethylpyrazol-3-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 104589102
1-[2-[(dimethylamino)methyl]phenyl]-N-[(2-ethylpyrazol-3-yl)methyl]methanamine
CID 115761553
N-[(2-ethylpyrazol-3-yl)methyl]-2-phenylacetamide
CID 19294481
3-[(2-ethylpyrazol-3-yl)methylamino]phenol
CID 114554894
2-[(2-ethylpyrazol-3-yl)methylamino]propane-1,3-diol
CID 115762526

Frequently Asked Questions

What is the IUPAC name of [3-[[(2-ethylpyrazol-3-yl)methylamino]methyl]phenyl]methanol?
The IUPAC name of [3-[[(2-ethylpyrazol-3-yl)methylamino]methyl]phenyl]methanol (CID 113334884) is [3-[[(2-ethylpyrazol-3-yl)methylamino]methyl]phenyl]methanol.
What is the SMILES notation for [3-[[(2-ethylpyrazol-3-yl)methylamino]methyl]phenyl]methanol?
The canonical SMILES for [3-[[(2-ethylpyrazol-3-yl)methylamino]methyl]phenyl]methanol is CCn1nccc1CNCc1cccc(CO)c1.
What is the InChIKey of [3-[[(2-ethylpyrazol-3-yl)methylamino]methyl]phenyl]methanol?
The InChIKey is OPJORFRCXNBQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-2-17-14(6-7-16-17)10-15-9-12-4-3-5-13(8-12)11-18/h3-8,15,18H,2,9-11H2,1H3.
What are the key properties of [3-[[(2-ethylpyrazol-3-yl)methylamino]methyl]phenyl]methanol?
[3-[[(2-ethylpyrazol-3-yl)methylamino]methyl]phenyl]methanol has a molecular weight of 245.33 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[(2-ethylpyrazol-3-yl)methylamino]methyl]phenyl]methanol is sourced from PubChem (CID 113334884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).