2-[4-[(2-methyl-4-propan-2-yloxyanilino)methyl]pyrazol-1-yl]ethanol

C16H23N3O2 — CID 64829407

IUPAC2-[4-[(2-methyl-4-propan-2-yloxyanilino)methyl]pyrazol-1-yl]ethanol
SMILESCc1cc(OC(C)C)ccc1NCc1cnn(CCO)c1
InChIInChI=1S/C16H23N3O2/c1-12(2)21-15-4-5-16(13(3)8-15)17-9-14-10-18-19(11-14)6-7-20/h4-5,8,10-12,17,20H,6-7,9H2,1-3H3
InChIKeyLJHXHKGNMXSSGJ-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.58
Rot. Bonds7

About 2-[4-[(2-methyl-4-propan-2-yloxyanilino)methyl]pyrazol-1-yl]ethanol

2-[4-[(2-methyl-4-propan-2-yloxyanilino)methyl]pyrazol-1-yl]ethanol (PubChem CID 64829407) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[4-[(2-methyl-4-propan-2-yloxyanilino)methyl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(2-methyl-4-propan-2-yloxyanilino)methyl]pyrazol-1-yl]ethanol
PubChem CID64829407
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-[4-[(2-methyl-4-propan-2-yloxyanilino)methyl]pyrazol-1-yl]ethanol
SMILESCc1cc(OC(C)C)ccc1NCc1cnn(CCO)c1
InChIInChI=1S/C16H23N3O2/c1-12(2)21-15-4-5-16(13(3)8-15)17-9-14-10-18-19(11-14)6-7-20/h4-5,8,10-12,17,20H,6-7,9H2,1-3H3
InChIKeyLJHXHKGNMXSSGJ-UHFFFAOYSA-N
XLogP2.58
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 2-[4-[(2-methyl-4-propan-2-yloxyanilino)methyl]pyrazol-1-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[(4-ethoxy-2-methylanilino)methyl]pyrazol-1-yl]ethanol
CID 64829629
2-[4-[(2,4-dimethylanilino)methyl]pyrazol-1-yl]ethanol
CID 64829341
2-[4-[(4-chloro-2-methylanilino)methyl]pyrazol-1-yl]ethanol
CID 64830927
2-[4-[(2-methyl-4-nitroanilino)methyl]pyrazol-1-yl]ethanol
CID 64829004
2-methyl-N-[(3-methyltriazol-4-yl)methyl]-4-propan-2-yloxyaniline
CID 115682395
2-methyl-N-[(6-methyl-3-pyridinyl)methyl]-4-propan-2-yloxyaniline
CID 104749166
2-[4-[(4-propoxyanilino)methyl]pyrazol-1-yl]ethanol
CID 64829597
2-[4-[[2-(difluoromethoxy)anilino]methyl]pyrazol-1-yl]ethanol
CID 64831321
4-methoxy-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 62865764
2-[4-[[2-methyl-5-(trifluoromethyl)anilino]methyl]pyrazol-1-yl]ethanol
CID 66480146
N-[(3-bromo-4-methylphenyl)methyl]-2-methyl-4-propan-2-yloxyaniline
CID 105401404
methyl 4-[(1-ethylpyrazol-4-yl)methylamino]-3-methylbenzoate
CID 103569294

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methyl-4-propan-2-yloxyanilino)methyl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[(2-methyl-4-propan-2-yloxyanilino)methyl]pyrazol-1-yl]ethanol (CID 64829407) is 2-[4-[(2-methyl-4-propan-2-yloxyanilino)methyl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(2-methyl-4-propan-2-yloxyanilino)methyl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[(2-methyl-4-propan-2-yloxyanilino)methyl]pyrazol-1-yl]ethanol is Cc1cc(OC(C)C)ccc1NCc1cnn(CCO)c1.
What is the InChIKey of 2-[4-[(2-methyl-4-propan-2-yloxyanilino)methyl]pyrazol-1-yl]ethanol?
The InChIKey is LJHXHKGNMXSSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-12(2)21-15-4-5-16(13(3)8-15)17-9-14-10-18-19(11-14)6-7-20/h4-5,8,10-12,17,20H,6-7,9H2,1-3H3.
What are the key properties of 2-[4-[(2-methyl-4-propan-2-yloxyanilino)methyl]pyrazol-1-yl]ethanol?
2-[4-[(2-methyl-4-propan-2-yloxyanilino)methyl]pyrazol-1-yl]ethanol has a molecular weight of 289.38 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methyl-4-propan-2-yloxyanilino)methyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 64829407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).