3,5-diphenyl-1-(2-pyrrolidin-1-ylethyl)pyrazol-4-amine

C21H24N4 — CID 10471976

IUPAC3,5-diphenyl-1-(2-pyrrolidin-1-ylethyl)pyrazol-4-amine
SMILESNc1c(-c2ccccc2)nn(CCN2CCCC2)c1-c1ccccc1
InChIInChI=1S/C21H24N4/c22-19-20(17-9-3-1-4-10-17)23-25(16-15-24-13-7-8-14-24)21(19)18-11-5-2-6-12-18/h1-6,9-12H,7-8,13-16,22H2
InChIKeyQRYZDLWSAPRDNN-UHFFFAOYSA-N
MW332.45 g/mol
LogP3.90
Rot. Bonds5

About 3,5-diphenyl-1-(2-pyrrolidin-1-ylethyl)pyrazol-4-amine

3,5-diphenyl-1-(2-pyrrolidin-1-ylethyl)pyrazol-4-amine (PubChem CID 10471976) has the molecular formula C21H24N4 and a molecular weight of 332.45 g/mol. Its IUPAC name is 3,5-diphenyl-1-(2-pyrrolidin-1-ylethyl)pyrazol-4-amine.

Molecular Properties

Compound Name3,5-diphenyl-1-(2-pyrrolidin-1-ylethyl)pyrazol-4-amine
PubChem CID10471976
Molecular FormulaC21H24N4
Molecular Weight332.45 g/mol
Exact Mass332.20
IUPAC Name3,5-diphenyl-1-(2-pyrrolidin-1-ylethyl)pyrazol-4-amine
SMILESNc1c(-c2ccccc2)nn(CCN2CCCC2)c1-c1ccccc1
InChIInChI=1S/C21H24N4/c22-19-20(17-9-3-1-4-10-17)23-25(16-15-24-13-7-8-14-24)21(19)18-11-5-2-6-12-18/h1-6,9-12H,7-8,13-16,22H2
InChIKeyQRYZDLWSAPRDNN-UHFFFAOYSA-N
XLogP3.90
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(diethylamino)ethyl]-3,5-diphenylpyrazol-4-amine
CID 10404674
[5-pyridin-3-yl-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanamine
CID 82211157
1-[3-(4-methylpiperazin-1-yl)propyl]-3,5-diphenylpyrazol-4-ol
CID 15084038
4-(4-chlorophenyl)-5-phenyl-2-(3-pyrrolidin-1-ylpropyl)triazole
CID 24985235
5-amino-8-(2,6-dimethyl-4-pyridinyl)-7-phenyl-2-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 156864193
1-[3-[4-(4-chlorophenyl)-5-phenyltriazol-2-yl]propyl]piperidine
CID 24985582
1-[2-[5-[(2R)-2-methylsulfanylpropyl]-4-phenylimidazol-1-yl]ethyl]piperidine
CID 95142744
2-[2-(azepan-1-yl)ethyl]-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one
CID 10982551
3-[3-phenyl-4-[[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]pyrazol-1-yl]propanenitrile
CID 9466950
1-[2-[4-(3-benzyl-5-phenyltriazol-4-yl)phenoxy]ethyl]piperidine
CID 162646932
3-bromo-1-(2-piperidin-1-ylethyl)indazole
CID 23324109
1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-amine;dihydrobromide
CID 44888796

Frequently Asked Questions

What is the IUPAC name of 3,5-diphenyl-1-(2-pyrrolidin-1-ylethyl)pyrazol-4-amine?
The IUPAC name of 3,5-diphenyl-1-(2-pyrrolidin-1-ylethyl)pyrazol-4-amine (CID 10471976) is 3,5-diphenyl-1-(2-pyrrolidin-1-ylethyl)pyrazol-4-amine.
What is the SMILES notation for 3,5-diphenyl-1-(2-pyrrolidin-1-ylethyl)pyrazol-4-amine?
The canonical SMILES for 3,5-diphenyl-1-(2-pyrrolidin-1-ylethyl)pyrazol-4-amine is Nc1c(-c2ccccc2)nn(CCN2CCCC2)c1-c1ccccc1.
What is the InChIKey of 3,5-diphenyl-1-(2-pyrrolidin-1-ylethyl)pyrazol-4-amine?
The InChIKey is QRYZDLWSAPRDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4/c22-19-20(17-9-3-1-4-10-17)23-25(16-15-24-13-7-8-14-24)21(19)18-11-5-2-6-12-18/h1-6,9-12H,7-8,13-16,22H2.
What are the key properties of 3,5-diphenyl-1-(2-pyrrolidin-1-ylethyl)pyrazol-4-amine?
3,5-diphenyl-1-(2-pyrrolidin-1-ylethyl)pyrazol-4-amine has a molecular weight of 332.45 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diphenyl-1-(2-pyrrolidin-1-ylethyl)pyrazol-4-amine is sourced from PubChem (CID 10471976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).