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

C15H21N3O2 — CID 64829597

IUPAC2-[4-[(4-propoxyanilino)methyl]pyrazol-1-yl]ethanol
SMILESCCCOc1ccc(NCc2cnn(CCO)c2)cc1
InChIInChI=1S/C15H21N3O2/c1-2-9-20-15-5-3-14(4-6-15)16-10-13-11-17-18(12-13)7-8-19/h3-6,11-12,16,19H,2,7-10H2,1H3
InChIKeyIJGULCFGRNLJIB-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.28
Rot. Bonds8

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

2-[4-[(4-propoxyanilino)methyl]pyrazol-1-yl]ethanol (PubChem CID 64829597) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[4-[(4-propoxyanilino)methyl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(4-propoxyanilino)methyl]pyrazol-1-yl]ethanol
PubChem CID64829597
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-[4-[(4-propoxyanilino)methyl]pyrazol-1-yl]ethanol
SMILESCCCOc1ccc(NCc2cnn(CCO)c2)cc1
InChIInChI=1S/C15H21N3O2/c1-2-9-20-15-5-3-14(4-6-15)16-10-13-11-17-18(12-13)7-8-19/h3-6,11-12,16,19H,2,7-10H2,1H3
InChIKeyIJGULCFGRNLJIB-UHFFFAOYSA-N
XLogP2.28
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.28
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-[(4-propoxyanilino)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-fluoroanilino)methyl]pyrazol-1-yl]ethanol
CID 64828766
4-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]benzonitrile
CID 64829940
2-[4-[[[6-(diethylamino)-3-pyridinyl]amino]methyl]pyrazol-1-yl]ethanol
CID 64828612
2-[4-[(1-ethylpyrazol-4-yl)methylamino]pyrazol-1-yl]ethanol
CID 122166813
2-[4-[(4-ethoxy-2-methylanilino)methyl]pyrazol-1-yl]ethanol
CID 64829629
2-[4-[[4-(triazol-2-yl)anilino]methyl]pyrazol-1-yl]ethanol
CID 64829397
1-ethyl-N-[(4-propoxyphenyl)methyl]pyrazol-4-amine
CID 43543347
2-[4-[(4-methoxy-3-propoxyphenyl)methylamino]pyrazol-1-yl]ethanol
CID 110928951
2-[4-[(2-methyl-4-propan-2-yloxyanilino)methyl]pyrazol-1-yl]ethanol
CID 64829407
2-[4-[[3-(2-methylpropoxy)anilino]methyl]pyrazol-1-yl]ethanol
CID 64829217
2-[4-[(4-methoxyphenyl)methylamino]pyrazol-1-yl]ethanol;hydrochloride
CID 126965409
propyl 4-[(1-ethylpyrazol-4-yl)methylamino]benzoate
CID 103569201

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-propoxyanilino)methyl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[(4-propoxyanilino)methyl]pyrazol-1-yl]ethanol (CID 64829597) is 2-[4-[(4-propoxyanilino)methyl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(4-propoxyanilino)methyl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[(4-propoxyanilino)methyl]pyrazol-1-yl]ethanol is CCCOc1ccc(NCc2cnn(CCO)c2)cc1.
What is the InChIKey of 2-[4-[(4-propoxyanilino)methyl]pyrazol-1-yl]ethanol?
The InChIKey is IJGULCFGRNLJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-2-9-20-15-5-3-14(4-6-15)16-10-13-11-17-18(12-13)7-8-19/h3-6,11-12,16,19H,2,7-10H2,1H3.
What are the key properties of 2-[4-[(4-propoxyanilino)methyl]pyrazol-1-yl]ethanol?
2-[4-[(4-propoxyanilino)methyl]pyrazol-1-yl]ethanol has a molecular weight of 275.35 g/mol, XLogP of 2.28, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-propoxyanilino)methyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 64829597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).