2-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]phenol

C14H19N3O — CID 19627463

IUPAC2-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]phenol
SMILESCc1c(C(C)NCc2ccccc2O)cnn1C
InChIInChI=1S/C14H19N3O/c1-10(13-9-16-17(3)11(13)2)15-8-12-6-4-5-7-14(12)18/h4-7,9-10,15,18H,8H2,1-3H3
InChIKeyMZFOEFMYJBWLDH-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.28
Rot. Bonds4

About 2-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]phenol

2-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]phenol (PubChem CID 19627463) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]phenol.

Molecular Properties

Compound Name2-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]phenol
PubChem CID19627463
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]phenol
SMILESCc1c(C(C)NCc2ccccc2O)cnn1C
InChIInChI=1S/C14H19N3O/c1-10(13-9-16-17(3)11(13)2)15-8-12-6-4-5-7-14(12)18/h4-7,9-10,15,18H,8H2,1-3H3
InChIKeyMZFOEFMYJBWLDH-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
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

1-(1,5-dimethylpyrazol-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 43435895
N-[(2-cyclopropylphenyl)methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine
CID 79889125
2-[2-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]phenoxy]ethanol
CID 110010841
1-(1,5-dimethylpyrazol-4-yl)-N-[(1-methylindol-3-yl)methyl]ethanamine
CID 107235283
1-(1,5-dimethylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)ethanamine
CID 19626634
N-[(2,5-difluorophenyl)methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine
CID 19624853
5-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 43751830
1-(1,5-dimethylpyrazol-4-yl)-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]ethanamine
CID 43792472
1-(1,5-dimethylpyrazol-4-yl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine
CID 80708616
4-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]benzoic acid
CID 65347777
1-(1,5-dimethylpyrazol-4-yl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]ethanamine
CID 112549272
1-(1,5-dimethylpyrazol-4-yl)-N-[(3-iodophenyl)methyl]ethanamine
CID 114282803

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]phenol?
The IUPAC name of 2-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]phenol (CID 19627463) is 2-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]phenol.
What is the SMILES notation for 2-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]phenol?
The canonical SMILES for 2-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]phenol is Cc1c(C(C)NCc2ccccc2O)cnn1C.
What is the InChIKey of 2-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]phenol?
The InChIKey is MZFOEFMYJBWLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10(13-9-16-17(3)11(13)2)15-8-12-6-4-5-7-14(12)18/h4-7,9-10,15,18H,8H2,1-3H3.
What are the key properties of 2-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]phenol?
2-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]phenol has a molecular weight of 245.33 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]phenol is sourced from PubChem (CID 19627463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).