2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]ethanol

C14H19N3O — CID 43406566

IUPAC2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]ethanol
SMILESCc1nn(-c2ccccc2)c(C)c1CNCCO
InChIInChI=1S/C14H19N3O/c1-11-14(10-15-8-9-18)12(2)17(16-11)13-6-4-3-5-7-13/h3-7,15,18H,8-10H2,1-2H3
InChIKeyPJZBMVMBBHUBGN-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.57
Rot. Bonds5

About 2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]ethanol

2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]ethanol (PubChem CID 43406566) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]ethanol.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]ethanol
PubChem CID43406566
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]ethanol
SMILESCc1nn(-c2ccccc2)c(C)c1CNCCO
InChIInChI=1S/C14H19N3O/c1-11-14(10-15-8-9-18)12(2)17(16-11)13-6-4-3-5-7-13/h3-7,15,18H,8-10H2,1-2H3
InChIKeyPJZBMVMBBHUBGN-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]pentan-1-ol
CID 107303026
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]hexan-1-amine
CID 43406597
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-methylsulfanylbutan-1-amine
CID 115639387
(3,5-dimethyl-1-phenylpyrazol-4-yl)methanol
CID 2526674
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2,3-dimethylbutan-1-amine
CID 64571084
1-cyclopropyl-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]ethanol
CID 63294865
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine
CID 103605624
1-[4-[(dimethylamino)methyl]phenyl]-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]methanamine
CID 8851232
2-cyclopropyl-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]propan-1-amine
CID 115592625
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-ethylpropan-1-amine
CID 79220500
N-[(3,5-dimethyl-1-pyridin-4-ylpyrazol-4-yl)methyl]propan-1-amine
CID 61272711
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
CID 60979174

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]ethanol?
The IUPAC name of 2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]ethanol (CID 43406566) is 2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]ethanol.
What is the SMILES notation for 2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]ethanol?
The canonical SMILES for 2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]ethanol is Cc1nn(-c2ccccc2)c(C)c1CNCCO.
What is the InChIKey of 2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]ethanol?
The InChIKey is PJZBMVMBBHUBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-11-14(10-15-8-9-18)12(2)17(16-11)13-6-4-3-5-7-13/h3-7,15,18H,8-10H2,1-2H3.
What are the key properties of 2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]ethanol?
2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]ethanol has a molecular weight of 245.33 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]ethanol is sourced from PubChem (CID 43406566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).