3-(1-phenyl-5-pyrrolidin-3-ylpyrazol-4-yl)phenol

C19H19N3O — CID 115053842

IUPAC3-(1-phenyl-5-pyrrolidin-3-ylpyrazol-4-yl)phenol
SMILESOc1cccc(-c2cnn(-c3ccccc3)c2C2CCNC2)c1
InChIInChI=1S/C19H19N3O/c23-17-8-4-5-14(11-17)18-13-21-22(16-6-2-1-3-7-16)19(18)15-9-10-20-12-15/h1-8,11,13,15,20,23H,9-10,12H2
InChIKeyBVDOEWORJDLGDA-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.32
Rot. Bonds3

About 3-(1-phenyl-5-pyrrolidin-3-ylpyrazol-4-yl)phenol

3-(1-phenyl-5-pyrrolidin-3-ylpyrazol-4-yl)phenol (PubChem CID 115053842) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 3-(1-phenyl-5-pyrrolidin-3-ylpyrazol-4-yl)phenol.

Molecular Properties

Compound Name3-(1-phenyl-5-pyrrolidin-3-ylpyrazol-4-yl)phenol
PubChem CID115053842
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name3-(1-phenyl-5-pyrrolidin-3-ylpyrazol-4-yl)phenol
SMILESOc1cccc(-c2cnn(-c3ccccc3)c2C2CCNC2)c1
InChIInChI=1S/C19H19N3O/c23-17-8-4-5-14(11-17)18-13-21-22(16-6-2-1-3-7-16)19(18)15-9-10-20-12-15/h1-8,11,13,15,20,23H,9-10,12H2
InChIKeyBVDOEWORJDLGDA-UHFFFAOYSA-N
XLogP3.32
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(4-methylphenyl)-1-phenylpyrazol-5-yl]piperidine
CID 115053824
3-pyrrolidin-3-ylphenol
CID 12937992
3-pyrrolidin-3-ylphenol;hydrochloride
CID 139593330
5-methyl-1-phenyl-4-[5-phenyl-3-[(3S)-pyrrolidin-3-yl]imidazol-4-yl]pyrazole
CID 95119449
5-methyl-1-phenyl-4-(5-phenyl-3-pyrrolidin-3-ylimidazol-4-yl)pyrazole
CID 50948117
4-(4-chlorophenyl)-1-methyl-5-pyrrolidin-3-ylpyrazole
CID 115053582
4-(3-phenyltriazol-4-yl)piperidine
CID 84692024
N-(2,4-difluorophenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20854855
4-(4-methylphenyl)-1-phenyl-5-pyrrolidin-2-ylpyrazole
CID 115053795
2-[5-(3-hydroxyphenyl)-1-phenylpyrazol-3-yl]phenol
CID 135497208
N-(2-fluorophenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20953791
[1-(4-methylphenyl)-5-piperidin-4-ylpyrazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 20953845

Frequently Asked Questions

What is the IUPAC name of 3-(1-phenyl-5-pyrrolidin-3-ylpyrazol-4-yl)phenol?
The IUPAC name of 3-(1-phenyl-5-pyrrolidin-3-ylpyrazol-4-yl)phenol (CID 115053842) is 3-(1-phenyl-5-pyrrolidin-3-ylpyrazol-4-yl)phenol.
What is the SMILES notation for 3-(1-phenyl-5-pyrrolidin-3-ylpyrazol-4-yl)phenol?
The canonical SMILES for 3-(1-phenyl-5-pyrrolidin-3-ylpyrazol-4-yl)phenol is Oc1cccc(-c2cnn(-c3ccccc3)c2C2CCNC2)c1.
What is the InChIKey of 3-(1-phenyl-5-pyrrolidin-3-ylpyrazol-4-yl)phenol?
The InChIKey is BVDOEWORJDLGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c23-17-8-4-5-14(11-17)18-13-21-22(16-6-2-1-3-7-16)19(18)15-9-10-20-12-15/h1-8,11,13,15,20,23H,9-10,12H2.
What are the key properties of 3-(1-phenyl-5-pyrrolidin-3-ylpyrazol-4-yl)phenol?
3-(1-phenyl-5-pyrrolidin-3-ylpyrazol-4-yl)phenol has a molecular weight of 305.38 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-phenyl-5-pyrrolidin-3-ylpyrazol-4-yl)phenol is sourced from PubChem (CID 115053842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).