4-(4-methylphenyl)-1-phenyl-5-pyrrolidin-2-ylpyrazole

C20H21N3 — CID 115053795

IUPAC4-(4-methylphenyl)-1-phenyl-5-pyrrolidin-2-ylpyrazole
SMILESCc1ccc(-c2cnn(-c3ccccc3)c2C2CCCN2)cc1
InChIInChI=1S/C20H21N3/c1-15-9-11-16(12-10-15)18-14-22-23(17-6-3-2-4-7-17)20(18)19-8-5-13-21-19/h2-4,6-7,9-12,14,19,21H,5,8,13H2,1H3
InChIKeyNFUWXZRLPGDZON-UHFFFAOYSA-N
MW303.41 g/mol
LogP4.27
Rot. Bonds3

About 4-(4-methylphenyl)-1-phenyl-5-pyrrolidin-2-ylpyrazole

4-(4-methylphenyl)-1-phenyl-5-pyrrolidin-2-ylpyrazole (PubChem CID 115053795) has the molecular formula C20H21N3 and a molecular weight of 303.41 g/mol. Its IUPAC name is 4-(4-methylphenyl)-1-phenyl-5-pyrrolidin-2-ylpyrazole.

Molecular Properties

Compound Name4-(4-methylphenyl)-1-phenyl-5-pyrrolidin-2-ylpyrazole
PubChem CID115053795
Molecular FormulaC20H21N3
Molecular Weight303.41 g/mol
Exact Mass303.17
IUPAC Name4-(4-methylphenyl)-1-phenyl-5-pyrrolidin-2-ylpyrazole
SMILESCc1ccc(-c2cnn(-c3ccccc3)c2C2CCCN2)cc1
InChIInChI=1S/C20H21N3/c1-15-9-11-16(12-10-15)18-14-22-23(17-6-3-2-4-7-17)20(18)19-8-5-13-21-19/h2-4,6-7,9-12,14,19,21H,5,8,13H2,1H3
InChIKeyNFUWXZRLPGDZON-UHFFFAOYSA-N
XLogP4.27
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(4-methylphenyl)-1-phenylpyrazol-5-yl]piperidine
CID 115053824
2-(4-cyclohexyl-1-phenylpyrazol-5-yl)piperidine
CID 115053820
(2R)-2-[4-(4-methylphenyl)phenyl]pyrrolidine
CID 66519668
(2R)-2-(4-methylphenyl)pyrrolidine
CID 7047871
1-phenyl-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104942009
4-(4-methylphenyl)-5-piperidin-2-yl-1,2-oxazole
CID 115003868
1-methyl-4-(2-phenylphenyl)-2-[(2S)-pyrrolidin-2-yl]imidazole
CID 172688853
5-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 167804875
4-bromo-1-methyl-5-(4-methylphenyl)-3-pyrrolidin-2-ylpyrazole
CID 84604265
4,6-dimethyl-2-(4-methylphenyl)-5-pyrrolidin-2-ylpyrimidine
CID 115069923
3-(1-phenyl-5-pyrrolidin-3-ylpyrazol-4-yl)phenol
CID 115053842
[4-methyl-2-phenyl-5-[(2R)-pyrrolidin-2-yl]pyrazol-3-yl]urea
CID 123257754

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-1-phenyl-5-pyrrolidin-2-ylpyrazole?
The IUPAC name of 4-(4-methylphenyl)-1-phenyl-5-pyrrolidin-2-ylpyrazole (CID 115053795) is 4-(4-methylphenyl)-1-phenyl-5-pyrrolidin-2-ylpyrazole.
What is the SMILES notation for 4-(4-methylphenyl)-1-phenyl-5-pyrrolidin-2-ylpyrazole?
The canonical SMILES for 4-(4-methylphenyl)-1-phenyl-5-pyrrolidin-2-ylpyrazole is Cc1ccc(-c2cnn(-c3ccccc3)c2C2CCCN2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-1-phenyl-5-pyrrolidin-2-ylpyrazole?
The InChIKey is NFUWXZRLPGDZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3/c1-15-9-11-16(12-10-15)18-14-22-23(17-6-3-2-4-7-17)20(18)19-8-5-13-21-19/h2-4,6-7,9-12,14,19,21H,5,8,13H2,1H3.
What are the key properties of 4-(4-methylphenyl)-1-phenyl-5-pyrrolidin-2-ylpyrazole?
4-(4-methylphenyl)-1-phenyl-5-pyrrolidin-2-ylpyrazole has a molecular weight of 303.41 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-1-phenyl-5-pyrrolidin-2-ylpyrazole is sourced from PubChem (CID 115053795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).