5-(1-benzylpyrrolidin-3-yl)-3-(4-chlorophenyl)-1H-pyrazole

C20H20ClN3 — CID 10497193

IUPAC5-(1-benzylpyrrolidin-3-yl)-3-(4-chlorophenyl)-1H-pyrazole
SMILESClc1ccc(-c2cc(C3CCN(Cc4ccccc4)C3)[nH]n2)cc1
InChIInChI=1S/C20H20ClN3/c21-18-8-6-16(7-9-18)19-12-20(23-22-19)17-10-11-24(14-17)13-15-4-2-1-3-5-15/h1-9,12,17H,10-11,13-14H2,(H,22,23)
InChIKeyHISVPUHXONHOSX-UHFFFAOYSA-N
MW337.85 g/mol
LogP4.72
Rot. Bonds4

About 5-(1-benzylpyrrolidin-3-yl)-3-(4-chlorophenyl)-1H-pyrazole

5-(1-benzylpyrrolidin-3-yl)-3-(4-chlorophenyl)-1H-pyrazole (PubChem CID 10497193) has the molecular formula C20H20ClN3 and a molecular weight of 337.85 g/mol. Its IUPAC name is 5-(1-benzylpyrrolidin-3-yl)-3-(4-chlorophenyl)-1H-pyrazole.

Molecular Properties

Compound Name5-(1-benzylpyrrolidin-3-yl)-3-(4-chlorophenyl)-1H-pyrazole
PubChem CID10497193
Molecular FormulaC20H20ClN3
Molecular Weight337.85 g/mol
Exact Mass337.13
IUPAC Name5-(1-benzylpyrrolidin-3-yl)-3-(4-chlorophenyl)-1H-pyrazole
SMILESClc1ccc(-c2cc(C3CCN(Cc4ccccc4)C3)[nH]n2)cc1
InChIInChI=1S/C20H20ClN3/c21-18-8-6-16(7-9-18)19-12-20(23-22-19)17-10-11-24(14-17)13-15-4-2-1-3-5-15/h1-9,12,17H,10-11,13-14H2,(H,22,23)
InChIKeyHISVPUHXONHOSX-UHFFFAOYSA-N
XLogP4.72
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1-benzylpyrrolidin-3-yl)-3-(4-chlorophenyl)-1H-pyrazole?
The IUPAC name of 5-(1-benzylpyrrolidin-3-yl)-3-(4-chlorophenyl)-1H-pyrazole (CID 10497193) is 5-(1-benzylpyrrolidin-3-yl)-3-(4-chlorophenyl)-1H-pyrazole.
What is the SMILES notation for 5-(1-benzylpyrrolidin-3-yl)-3-(4-chlorophenyl)-1H-pyrazole?
The canonical SMILES for 5-(1-benzylpyrrolidin-3-yl)-3-(4-chlorophenyl)-1H-pyrazole is Clc1ccc(-c2cc(C3CCN(Cc4ccccc4)C3)[nH]n2)cc1.
What is the InChIKey of 5-(1-benzylpyrrolidin-3-yl)-3-(4-chlorophenyl)-1H-pyrazole?
The InChIKey is HISVPUHXONHOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3/c21-18-8-6-16(7-9-18)19-12-20(23-22-19)17-10-11-24(14-17)13-15-4-2-1-3-5-15/h1-9,12,17H,10-11,13-14H2,(H,22,23).
What are the key properties of 5-(1-benzylpyrrolidin-3-yl)-3-(4-chlorophenyl)-1H-pyrazole?
5-(1-benzylpyrrolidin-3-yl)-3-(4-chlorophenyl)-1H-pyrazole has a molecular weight of 337.85 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzylpyrrolidin-3-yl)-3-(4-chlorophenyl)-1H-pyrazole is sourced from PubChem (CID 10497193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).