2-(1,5-dimethylpyrazol-4-yl)-2-(4-methylanilino)ethanol

C14H19N3O — CID 79584677

IUPAC2-(1,5-dimethylpyrazol-4-yl)-2-(4-methylanilino)ethanol
SMILESCc1ccc(NC(CO)c2cnn(C)c2C)cc1
InChIInChI=1S/C14H19N3O/c1-10-4-6-12(7-5-10)16-14(9-18)13-8-15-17(3)11(13)2/h4-8,14,16,18H,9H2,1-3H3
InChIKeyCKCZYDSWRLXFOM-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.18
Rot. Bonds4

About 2-(1,5-dimethylpyrazol-4-yl)-2-(4-methylanilino)ethanol

2-(1,5-dimethylpyrazol-4-yl)-2-(4-methylanilino)ethanol (PubChem CID 79584677) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-(1,5-dimethylpyrazol-4-yl)-2-(4-methylanilino)ethanol.

Molecular Properties

Compound Name2-(1,5-dimethylpyrazol-4-yl)-2-(4-methylanilino)ethanol
PubChem CID79584677
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-(1,5-dimethylpyrazol-4-yl)-2-(4-methylanilino)ethanol
SMILESCc1ccc(NC(CO)c2cnn(C)c2C)cc1
InChIInChI=1S/C14H19N3O/c1-10-4-6-12(7-5-10)16-14(9-18)13-8-15-17(3)11(13)2/h4-8,14,16,18H,9H2,1-3H3
InChIKeyCKCZYDSWRLXFOM-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,5-dimethylpyrazol-4-yl)-2-(4-methylanilino)ethanol?
The IUPAC name of 2-(1,5-dimethylpyrazol-4-yl)-2-(4-methylanilino)ethanol (CID 79584677) is 2-(1,5-dimethylpyrazol-4-yl)-2-(4-methylanilino)ethanol.
What is the SMILES notation for 2-(1,5-dimethylpyrazol-4-yl)-2-(4-methylanilino)ethanol?
The canonical SMILES for 2-(1,5-dimethylpyrazol-4-yl)-2-(4-methylanilino)ethanol is Cc1ccc(NC(CO)c2cnn(C)c2C)cc1.
What is the InChIKey of 2-(1,5-dimethylpyrazol-4-yl)-2-(4-methylanilino)ethanol?
The InChIKey is CKCZYDSWRLXFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10-4-6-12(7-5-10)16-14(9-18)13-8-15-17(3)11(13)2/h4-8,14,16,18H,9H2,1-3H3.
What are the key properties of 2-(1,5-dimethylpyrazol-4-yl)-2-(4-methylanilino)ethanol?
2-(1,5-dimethylpyrazol-4-yl)-2-(4-methylanilino)ethanol has a molecular weight of 245.33 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-dimethylpyrazol-4-yl)-2-(4-methylanilino)ethanol is sourced from PubChem (CID 79584677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).