4-benzyl-1-phenyl-5-(pyrrolidin-2-ylmethyl)pyrazole

C21H23N3 — CID 115053884

IUPAC4-benzyl-1-phenyl-5-(pyrrolidin-2-ylmethyl)pyrazole
SMILESc1ccc(Cc2cnn(-c3ccccc3)c2CC2CCCN2)cc1
InChIInChI=1S/C21H23N3/c1-3-8-17(9-4-1)14-18-16-23-24(20-11-5-2-6-12-20)21(18)15-19-10-7-13-22-19/h1-6,8-9,11-12,16,19,22H,7,10,13-15H2
InChIKeyCJUGHCPEJCSNPB-UHFFFAOYSA-N
MW317.44 g/mol
LogP3.76
Rot. Bonds5

About 4-benzyl-1-phenyl-5-(pyrrolidin-2-ylmethyl)pyrazole

4-benzyl-1-phenyl-5-(pyrrolidin-2-ylmethyl)pyrazole (PubChem CID 115053884) has the molecular formula C21H23N3 and a molecular weight of 317.44 g/mol. Its IUPAC name is 4-benzyl-1-phenyl-5-(pyrrolidin-2-ylmethyl)pyrazole.

Molecular Properties

Compound Name4-benzyl-1-phenyl-5-(pyrrolidin-2-ylmethyl)pyrazole
PubChem CID115053884
Molecular FormulaC21H23N3
Molecular Weight317.44 g/mol
Exact Mass317.19
IUPAC Name4-benzyl-1-phenyl-5-(pyrrolidin-2-ylmethyl)pyrazole
SMILESc1ccc(Cc2cnn(-c3ccccc3)c2CC2CCCN2)cc1
InChIInChI=1S/C21H23N3/c1-3-8-17(9-4-1)14-18-16-23-24(20-11-5-2-6-12-20)21(18)15-19-10-7-13-22-19/h1-6,8-9,11-12,16,19,22H,7,10,13-15H2
InChIKeyCJUGHCPEJCSNPB-UHFFFAOYSA-N
XLogP3.76
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-[3-(pyrrolidin-2-ylmethyl)phenyl]triazole
CID 117358210
3-[4-(pyrrolidin-2-ylmethyl)pyrazol-1-yl]phenol
CID 115054088
5-cyclopropyl-1-[3-(pyrrolidin-2-ylmethyl)phenyl]pyrazole
CID 117422199
(2R)-2-[(2-methylphenyl)methyl]pyrrolidine
CID 7047857
3-[4-(piperidin-2-ylmethyl)pyrazol-1-yl]phenol
CID 115054072
1-(2-chlorophenyl)-4-(pyrrolidin-2-ylmethyl)pyrazole
CID 115054113
1-(2-fluorophenyl)-4-(pyrrolidin-2-ylmethyl)pyrazole
CID 115054112
2-[(2-chloro-3-methylphenyl)methyl]pyrrolidine
CID 117299743
3-benzyl-1-phenyl-1,4-diazepane
CID 64943308
5-benzyl-2-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;hydrochloride
CID 69004873
2-(4-cyclohexyl-1-phenylpyrazol-5-yl)piperidine
CID 115053820
2-(5-methyl-1-phenyltriazol-4-yl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119512728

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-phenyl-5-(pyrrolidin-2-ylmethyl)pyrazole?
The IUPAC name of 4-benzyl-1-phenyl-5-(pyrrolidin-2-ylmethyl)pyrazole (CID 115053884) is 4-benzyl-1-phenyl-5-(pyrrolidin-2-ylmethyl)pyrazole.
What is the SMILES notation for 4-benzyl-1-phenyl-5-(pyrrolidin-2-ylmethyl)pyrazole?
The canonical SMILES for 4-benzyl-1-phenyl-5-(pyrrolidin-2-ylmethyl)pyrazole is c1ccc(Cc2cnn(-c3ccccc3)c2CC2CCCN2)cc1.
What is the InChIKey of 4-benzyl-1-phenyl-5-(pyrrolidin-2-ylmethyl)pyrazole?
The InChIKey is CJUGHCPEJCSNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3/c1-3-8-17(9-4-1)14-18-16-23-24(20-11-5-2-6-12-20)21(18)15-19-10-7-13-22-19/h1-6,8-9,11-12,16,19,22H,7,10,13-15H2.
What are the key properties of 4-benzyl-1-phenyl-5-(pyrrolidin-2-ylmethyl)pyrazole?
4-benzyl-1-phenyl-5-(pyrrolidin-2-ylmethyl)pyrazole has a molecular weight of 317.44 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-phenyl-5-(pyrrolidin-2-ylmethyl)pyrazole is sourced from PubChem (CID 115053884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).