2-[1-[(1-ethylpyrazol-4-yl)amino]ethyl]-4-methylphenol

C14H19N3O — CID 43543251

IUPAC2-[1-[(1-ethylpyrazol-4-yl)amino]ethyl]-4-methylphenol
SMILESCCn1cc(NC(C)c2cc(C)ccc2O)cn1
InChIInChI=1S/C14H19N3O/c1-4-17-9-12(8-15-17)16-11(3)13-7-10(2)5-6-14(13)18/h5-9,11,16,18H,4H2,1-3H3
InChIKeyIPZNLWXPZMLMSF-UHFFFAOYSA-N
MW245.33 g/mol
LogP3.09
Rot. Bonds4

About 2-[1-[(1-ethylpyrazol-4-yl)amino]ethyl]-4-methylphenol

2-[1-[(1-ethylpyrazol-4-yl)amino]ethyl]-4-methylphenol (PubChem CID 43543251) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-[1-[(1-ethylpyrazol-4-yl)amino]ethyl]-4-methylphenol.

Molecular Properties

Compound Name2-[1-[(1-ethylpyrazol-4-yl)amino]ethyl]-4-methylphenol
PubChem CID43543251
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-[1-[(1-ethylpyrazol-4-yl)amino]ethyl]-4-methylphenol
SMILESCCn1cc(NC(C)c2cc(C)ccc2O)cn1
InChIInChI=1S/C14H19N3O/c1-4-17-9-12(8-15-17)16-11(3)13-7-10(2)5-6-14(13)18/h5-9,11,16,18H,4H2,1-3H3
InChIKeyIPZNLWXPZMLMSF-UHFFFAOYSA-N
XLogP3.09
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2,4-dibromophenyl)ethyl]-1-ethylpyrazol-4-amine
CID 60781763
N-[1-(3,4-dimethylphenyl)ethyl]-1-ethylpyrazol-4-amine
CID 43543382
2-[1-(4-butylanilino)ethyl]-4-methylphenol
CID 43504758
4-methyl-2-[1-(4-propoxyanilino)ethyl]phenol
CID 62327278
1-ethyl-N-[1-(3-fluorophenyl)ethyl]pyrazol-4-amine
CID 43543392
1-ethyl-N-[1-(2-nitrophenyl)ethyl]pyrazol-4-amine
CID 43543284
4-methyl-2-[1-(quinoxalin-6-ylamino)ethyl]phenol
CID 60944016
4-[1-[(1-ethylpyrazol-4-yl)amino]ethyl]benzonitrile
CID 43543489
2-[1-(3-chloroanilino)ethyl]-4-methylphenol
CID 43504663
(2,5-dimethylphenyl)-(1-ethylpyrazol-4-yl)methanol
CID 63895655
4-methyl-2-[1-[4-(trifluoromethyl)anilino]ethyl]phenol
CID 43504634
2-[1-(4-fluoro-3-methylanilino)ethyl]-4-methylphenol
CID 62810550

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-ethylpyrazol-4-yl)amino]ethyl]-4-methylphenol?
The IUPAC name of 2-[1-[(1-ethylpyrazol-4-yl)amino]ethyl]-4-methylphenol (CID 43543251) is 2-[1-[(1-ethylpyrazol-4-yl)amino]ethyl]-4-methylphenol.
What is the SMILES notation for 2-[1-[(1-ethylpyrazol-4-yl)amino]ethyl]-4-methylphenol?
The canonical SMILES for 2-[1-[(1-ethylpyrazol-4-yl)amino]ethyl]-4-methylphenol is CCn1cc(NC(C)c2cc(C)ccc2O)cn1.
What is the InChIKey of 2-[1-[(1-ethylpyrazol-4-yl)amino]ethyl]-4-methylphenol?
The InChIKey is IPZNLWXPZMLMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-4-17-9-12(8-15-17)16-11(3)13-7-10(2)5-6-14(13)18/h5-9,11,16,18H,4H2,1-3H3.
What are the key properties of 2-[1-[(1-ethylpyrazol-4-yl)amino]ethyl]-4-methylphenol?
2-[1-[(1-ethylpyrazol-4-yl)amino]ethyl]-4-methylphenol has a molecular weight of 245.33 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-ethylpyrazol-4-yl)amino]ethyl]-4-methylphenol is sourced from PubChem (CID 43543251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).