4-[[(1-ethylpyrazol-4-yl)methylamino]methyl]phenol

C13H17N3O — CID 19627439

IUPAC4-[[(1-ethylpyrazol-4-yl)methylamino]methyl]phenol
SMILESCCn1cc(CNCc2ccc(O)cc2)cn1
InChIInChI=1S/C13H17N3O/c1-2-16-10-12(9-15-16)8-14-7-11-3-5-13(17)6-4-11/h3-6,9-10,14,17H,2,7-8H2,1H3
InChIKeyAWSHYSXWBSPTAR-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.90
Rot. Bonds5

About 4-[[(1-ethylpyrazol-4-yl)methylamino]methyl]phenol

4-[[(1-ethylpyrazol-4-yl)methylamino]methyl]phenol (PubChem CID 19627439) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 4-[[(1-ethylpyrazol-4-yl)methylamino]methyl]phenol.

Molecular Properties

Compound Name4-[[(1-ethylpyrazol-4-yl)methylamino]methyl]phenol
PubChem CID19627439
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name4-[[(1-ethylpyrazol-4-yl)methylamino]methyl]phenol
SMILESCCn1cc(CNCc2ccc(O)cc2)cn1
InChIInChI=1S/C13H17N3O/c1-2-16-10-12(9-15-16)8-14-7-11-3-5-13(17)6-4-11/h3-6,9-10,14,17H,2,7-8H2,1H3
InChIKeyAWSHYSXWBSPTAR-UHFFFAOYSA-N
XLogP1.90
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(1-ethylpyrazol-4-yl)amino]methyl]phenol
CID 19627559
1-(1-ethylpyrazol-4-yl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 122166789
N-benzyl-2-[(1-ethylpyrazol-4-yl)methylamino]acetamide
CID 62127943
N-[(1-ethylpyrazol-4-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine
CID 104665276
N-[(1-ethylpyrazol-4-yl)methyl]-1-(2-fluorophenyl)methanamine
CID 19624929
1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-ol
CID 116799436
1-[(1-ethylpyrazol-4-yl)methylamino]-2-methylbutan-2-ol
CID 63962764
N-[(1-cyclopentylpyrazol-4-yl)methyl]-1-(1-ethylpyrazol-4-yl)methanamine;hydrochloride
CID 126966107
N-[(1-ethylpyrazol-4-yl)methyl]-2-methylsulfanylethanamine
CID 63966878
N-[[4-[(1-ethylpyrazol-4-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 63063064
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(1-ethylpyrazol-4-yl)methanamine
CID 19625453
3-[(1-ethylpyrazol-4-yl)methylamino]-1,1-difluoropropan-2-ol
CID 103731572

Frequently Asked Questions

What is the IUPAC name of 4-[[(1-ethylpyrazol-4-yl)methylamino]methyl]phenol?
The IUPAC name of 4-[[(1-ethylpyrazol-4-yl)methylamino]methyl]phenol (CID 19627439) is 4-[[(1-ethylpyrazol-4-yl)methylamino]methyl]phenol.
What is the SMILES notation for 4-[[(1-ethylpyrazol-4-yl)methylamino]methyl]phenol?
The canonical SMILES for 4-[[(1-ethylpyrazol-4-yl)methylamino]methyl]phenol is CCn1cc(CNCc2ccc(O)cc2)cn1.
What is the InChIKey of 4-[[(1-ethylpyrazol-4-yl)methylamino]methyl]phenol?
The InChIKey is AWSHYSXWBSPTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-2-16-10-12(9-15-16)8-14-7-11-3-5-13(17)6-4-11/h3-6,9-10,14,17H,2,7-8H2,1H3.
What are the key properties of 4-[[(1-ethylpyrazol-4-yl)methylamino]methyl]phenol?
4-[[(1-ethylpyrazol-4-yl)methylamino]methyl]phenol has a molecular weight of 231.30 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-ethylpyrazol-4-yl)methylamino]methyl]phenol is sourced from PubChem (CID 19627439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).