4-[4-(1-phenylbutoxy)phenyl]-1H-pyrazole

C19H20N2O — CID 141400691

IUPAC4-[4-(1-phenylbutoxy)phenyl]-1H-pyrazole
SMILESCCCC(Oc1ccc(-c2cn[nH]c2)cc1)c1ccccc1
InChIInChI=1S/C19H20N2O/c1-2-6-19(16-7-4-3-5-8-16)22-18-11-9-15(10-12-18)17-13-20-21-14-17/h3-5,7-14,19H,2,6H2,1H3,(H,20,21)
InChIKeyCBJBIPUHUQTGCE-UHFFFAOYSA-N
MW292.38 g/mol
LogP5.00
Rot. Bonds6

About 4-[4-(1-phenylbutoxy)phenyl]-1H-pyrazole

4-[4-(1-phenylbutoxy)phenyl]-1H-pyrazole (PubChem CID 141400691) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-[4-(1-phenylbutoxy)phenyl]-1H-pyrazole.

Molecular Properties

Compound Name4-[4-(1-phenylbutoxy)phenyl]-1H-pyrazole
PubChem CID141400691
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name4-[4-(1-phenylbutoxy)phenyl]-1H-pyrazole
SMILESCCCC(Oc1ccc(-c2cn[nH]c2)cc1)c1ccccc1
InChIInChI=1S/C19H20N2O/c1-2-6-19(16-7-4-3-5-8-16)22-18-11-9-15(10-12-18)17-13-20-21-14-17/h3-5,7-14,19H,2,6H2,1H3,(H,20,21)
InChIKeyCBJBIPUHUQTGCE-UHFFFAOYSA-N
XLogP5.00
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[4-(1-phenylbutoxy)phenyl]-1H-pyrazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-phenylbutoxy)phenyl]-1H-pyrazole?
The IUPAC name of 4-[4-(1-phenylbutoxy)phenyl]-1H-pyrazole (CID 141400691) is 4-[4-(1-phenylbutoxy)phenyl]-1H-pyrazole.
What is the SMILES notation for 4-[4-(1-phenylbutoxy)phenyl]-1H-pyrazole?
The canonical SMILES for 4-[4-(1-phenylbutoxy)phenyl]-1H-pyrazole is CCCC(Oc1ccc(-c2cn[nH]c2)cc1)c1ccccc1.
What is the InChIKey of 4-[4-(1-phenylbutoxy)phenyl]-1H-pyrazole?
The InChIKey is CBJBIPUHUQTGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-2-6-19(16-7-4-3-5-8-16)22-18-11-9-15(10-12-18)17-13-20-21-14-17/h3-5,7-14,19H,2,6H2,1H3,(H,20,21).
What are the key properties of 4-[4-(1-phenylbutoxy)phenyl]-1H-pyrazole?
4-[4-(1-phenylbutoxy)phenyl]-1H-pyrazole has a molecular weight of 292.38 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-phenylbutoxy)phenyl]-1H-pyrazole is sourced from PubChem (CID 141400691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).