(2,3-diphenyl-3,4-dihydropyrazol-5-yl)-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone

C26H33N5O — CID 112814329

IUPAC(2,3-diphenyl-3,4-dihydropyrazol-5-yl)-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
SMILESO=C(C1=NN(c2ccccc2)C(c2ccccc2)C1)N1CCN(CCN2CCCC2)CC1
InChIInChI=1S/C26H33N5O/c32-26(30-19-17-29(18-20-30)16-15-28-13-7-8-14-28)24-21-25(22-9-3-1-4-10-22)31(27-24)23-11-5-2-6-12-23/h1-6,9-12,25H,7-8,13-21H2
InChIKeySIDQRJVJOIMWDX-UHFFFAOYSA-N
MW431.58 g/mol
LogP3.23
Rot. Bonds6

About (2,3-diphenyl-3,4-dihydropyrazol-5-yl)-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone

(2,3-diphenyl-3,4-dihydropyrazol-5-yl)-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone (PubChem CID 112814329) has the molecular formula C26H33N5O and a molecular weight of 431.58 g/mol. Its IUPAC name is (2,3-diphenyl-3,4-dihydropyrazol-5-yl)-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,3-diphenyl-3,4-dihydropyrazol-5-yl)-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
PubChem CID112814329
Molecular FormulaC26H33N5O
Molecular Weight431.58 g/mol
Exact Mass431.27
IUPAC Name(2,3-diphenyl-3,4-dihydropyrazol-5-yl)-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
SMILESO=C(C1=NN(c2ccccc2)C(c2ccccc2)C1)N1CCN(CCN2CCCC2)CC1
InChIInChI=1S/C26H33N5O/c32-26(30-19-17-29(18-20-30)16-15-28-13-7-8-14-28)24-21-25(22-9-3-1-4-10-22)31(27-24)23-11-5-2-6-12-23/h1-6,9-12,25H,7-8,13-21H2
InChIKeySIDQRJVJOIMWDX-UHFFFAOYSA-N
XLogP3.23
TPSA42.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.58
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,3-diphenyl-3,4-dihydropyrazol-5-yl)-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone?
The IUPAC name of (2,3-diphenyl-3,4-dihydropyrazol-5-yl)-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone (CID 112814329) is (2,3-diphenyl-3,4-dihydropyrazol-5-yl)-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2,3-diphenyl-3,4-dihydropyrazol-5-yl)-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone?
The canonical SMILES for (2,3-diphenyl-3,4-dihydropyrazol-5-yl)-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone is O=C(C1=NN(c2ccccc2)C(c2ccccc2)C1)N1CCN(CCN2CCCC2)CC1.
What is the InChIKey of (2,3-diphenyl-3,4-dihydropyrazol-5-yl)-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone?
The InChIKey is SIDQRJVJOIMWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O/c32-26(30-19-17-29(18-20-30)16-15-28-13-7-8-14-28)24-21-25(22-9-3-1-4-10-22)31(27-24)23-11-5-2-6-12-23/h1-6,9-12,25H,7-8,13-21H2.
What are the key properties of (2,3-diphenyl-3,4-dihydropyrazol-5-yl)-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone?
(2,3-diphenyl-3,4-dihydropyrazol-5-yl)-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone has a molecular weight of 431.58 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-diphenyl-3,4-dihydropyrazol-5-yl)-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 112814329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).