4-benzyl-5-[1-(2-phenylethyl)pyrrolidin-3-yl]-1H-pyrazole

C22H25N3 — CID 129132927

IUPAC4-benzyl-5-[1-(2-phenylethyl)pyrrolidin-3-yl]-1H-pyrazole
SMILESc1ccc(CCN2CCC(c3[nH]ncc3Cc3ccccc3)C2)cc1
InChIInChI=1S/C22H25N3/c1-3-7-18(8-4-1)11-13-25-14-12-20(17-25)22-21(16-23-24-22)15-19-9-5-2-6-10-19/h1-10,16,20H,11-15,17H2,(H,23,24)
InChIKeyQKDJFLXUMOKLLR-UHFFFAOYSA-N
MW331.46 g/mol
LogP4.03
Rot. Bonds6

About 4-benzyl-5-[1-(2-phenylethyl)pyrrolidin-3-yl]-1H-pyrazole

4-benzyl-5-[1-(2-phenylethyl)pyrrolidin-3-yl]-1H-pyrazole (PubChem CID 129132927) has the molecular formula C22H25N3 and a molecular weight of 331.46 g/mol. Its IUPAC name is 4-benzyl-5-[1-(2-phenylethyl)pyrrolidin-3-yl]-1H-pyrazole.

Molecular Properties

Compound Name4-benzyl-5-[1-(2-phenylethyl)pyrrolidin-3-yl]-1H-pyrazole
PubChem CID129132927
Molecular FormulaC22H25N3
Molecular Weight331.46 g/mol
Exact Mass331.20
IUPAC Name4-benzyl-5-[1-(2-phenylethyl)pyrrolidin-3-yl]-1H-pyrazole
SMILESc1ccc(CCN2CCC(c3[nH]ncc3Cc3ccccc3)C2)cc1
InChIInChI=1S/C22H25N3/c1-3-7-18(8-4-1)11-13-25-14-12-20(17-25)22-21(16-23-24-22)15-19-9-5-2-6-10-19/h1-10,16,20H,11-15,17H2,(H,23,24)
InChIKeyQKDJFLXUMOKLLR-UHFFFAOYSA-N
XLogP4.03
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-5-[1-(2-phenylethyl)pyrrolidin-3-yl]-1H-pyrazole?
The IUPAC name of 4-benzyl-5-[1-(2-phenylethyl)pyrrolidin-3-yl]-1H-pyrazole (CID 129132927) is 4-benzyl-5-[1-(2-phenylethyl)pyrrolidin-3-yl]-1H-pyrazole.
What is the SMILES notation for 4-benzyl-5-[1-(2-phenylethyl)pyrrolidin-3-yl]-1H-pyrazole?
The canonical SMILES for 4-benzyl-5-[1-(2-phenylethyl)pyrrolidin-3-yl]-1H-pyrazole is c1ccc(CCN2CCC(c3[nH]ncc3Cc3ccccc3)C2)cc1.
What is the InChIKey of 4-benzyl-5-[1-(2-phenylethyl)pyrrolidin-3-yl]-1H-pyrazole?
The InChIKey is QKDJFLXUMOKLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3/c1-3-7-18(8-4-1)11-13-25-14-12-20(17-25)22-21(16-23-24-22)15-19-9-5-2-6-10-19/h1-10,16,20H,11-15,17H2,(H,23,24).
What are the key properties of 4-benzyl-5-[1-(2-phenylethyl)pyrrolidin-3-yl]-1H-pyrazole?
4-benzyl-5-[1-(2-phenylethyl)pyrrolidin-3-yl]-1H-pyrazole has a molecular weight of 331.46 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-5-[1-(2-phenylethyl)pyrrolidin-3-yl]-1H-pyrazole is sourced from PubChem (CID 129132927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).