1-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-pyrrolidin-1-ylethanone

C23H27N3O3 — CID 3773109

IUPAC1-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-pyrrolidin-1-ylethanone
SMILESCOc1ccc(C2=NN(C(=O)CN3CCCC3)C(c3ccc(OC)cc3)C2)cc1
InChIInChI=1S/C23H27N3O3/c1-28-19-9-5-17(6-10-19)21-15-22(18-7-11-20(29-2)12-8-18)26(24-21)23(27)16-25-13-3-4-14-25/h5-12,22H,3-4,13-16H2,1-2H3
InChIKeyUGLLOMNEMZUNCT-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.48
Rot. Bonds6

About 1-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-pyrrolidin-1-ylethanone

1-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-pyrrolidin-1-ylethanone (PubChem CID 3773109) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 1-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name1-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-pyrrolidin-1-ylethanone
PubChem CID3773109
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name1-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-pyrrolidin-1-ylethanone
SMILESCOc1ccc(C2=NN(C(=O)CN3CCCC3)C(c3ccc(OC)cc3)C2)cc1
InChIInChI=1S/C23H27N3O3/c1-28-19-9-5-17(6-10-19)21-15-22(18-7-11-20(29-2)12-8-18)26(24-21)23(27)16-25-13-3-4-14-25/h5-12,22H,3-4,13-16H2,1-2H3
InChIKeyUGLLOMNEMZUNCT-UHFFFAOYSA-N
XLogP3.48
TPSA54.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-pyrrolidin-1-ylethanone?
The IUPAC name of 1-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-pyrrolidin-1-ylethanone (CID 3773109) is 1-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-pyrrolidin-1-ylethanone.
What is the SMILES notation for 1-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-pyrrolidin-1-ylethanone?
The canonical SMILES for 1-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-pyrrolidin-1-ylethanone is COc1ccc(C2=NN(C(=O)CN3CCCC3)C(c3ccc(OC)cc3)C2)cc1.
What is the InChIKey of 1-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-pyrrolidin-1-ylethanone?
The InChIKey is UGLLOMNEMZUNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-28-19-9-5-17(6-10-19)21-15-22(18-7-11-20(29-2)12-8-18)26(24-21)23(27)16-25-13-3-4-14-25/h5-12,22H,3-4,13-16H2,1-2H3.
What are the key properties of 1-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-pyrrolidin-1-ylethanone?
1-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-pyrrolidin-1-ylethanone has a molecular weight of 393.49 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-pyrrolidin-1-ylethanone is sourced from PubChem (CID 3773109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).