3-(3-phenylphenyl)-5-pyrrolidin-3-yl-1H-pyrazole

C19H19N3 — CID 130454690

IUPAC3-(3-phenylphenyl)-5-pyrrolidin-3-yl-1H-pyrazole
SMILESc1ccc(-c2cccc(-c3cc(C4CCNC4)[nH]n3)c2)cc1
InChIInChI=1S/C19H19N3/c1-2-5-14(6-3-1)15-7-4-8-16(11-15)18-12-19(22-21-18)17-9-10-20-13-17/h1-8,11-12,17,20H,9-10,13H2,(H,21,22)
InChIKeyMQJQLUWBORHOMY-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.82
Rot. Bonds3

About 3-(3-phenylphenyl)-5-pyrrolidin-3-yl-1H-pyrazole

3-(3-phenylphenyl)-5-pyrrolidin-3-yl-1H-pyrazole (PubChem CID 130454690) has the molecular formula C19H19N3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-(3-phenylphenyl)-5-pyrrolidin-3-yl-1H-pyrazole.

Molecular Properties

Compound Name3-(3-phenylphenyl)-5-pyrrolidin-3-yl-1H-pyrazole
PubChem CID130454690
Molecular FormulaC19H19N3
Molecular Weight289.38 g/mol
Exact Mass289.16
IUPAC Name3-(3-phenylphenyl)-5-pyrrolidin-3-yl-1H-pyrazole
SMILESc1ccc(-c2cccc(-c3cc(C4CCNC4)[nH]n3)c2)cc1
InChIInChI=1S/C19H19N3/c1-2-5-14(6-3-1)15-7-4-8-16(11-15)18-12-19(22-21-18)17-9-10-20-13-17/h1-8,11-12,17,20H,9-10,13H2,(H,21,22)
InChIKeyMQJQLUWBORHOMY-UHFFFAOYSA-N
XLogP3.82
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-phenylphenyl)-5-pyrrolidin-3-yl-1H-pyrazole?
The IUPAC name of 3-(3-phenylphenyl)-5-pyrrolidin-3-yl-1H-pyrazole (CID 130454690) is 3-(3-phenylphenyl)-5-pyrrolidin-3-yl-1H-pyrazole.
What is the SMILES notation for 3-(3-phenylphenyl)-5-pyrrolidin-3-yl-1H-pyrazole?
The canonical SMILES for 3-(3-phenylphenyl)-5-pyrrolidin-3-yl-1H-pyrazole is c1ccc(-c2cccc(-c3cc(C4CCNC4)[nH]n3)c2)cc1.
What is the InChIKey of 3-(3-phenylphenyl)-5-pyrrolidin-3-yl-1H-pyrazole?
The InChIKey is MQJQLUWBORHOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3/c1-2-5-14(6-3-1)15-7-4-8-16(11-15)18-12-19(22-21-18)17-9-10-20-13-17/h1-8,11-12,17,20H,9-10,13H2,(H,21,22).
What are the key properties of 3-(3-phenylphenyl)-5-pyrrolidin-3-yl-1H-pyrazole?
3-(3-phenylphenyl)-5-pyrrolidin-3-yl-1H-pyrazole has a molecular weight of 289.38 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenylphenyl)-5-pyrrolidin-3-yl-1H-pyrazole is sourced from PubChem (CID 130454690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).