1-[3,5-bis(2-chlorophenyl)-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone

C21H21Cl2N3O2 — CID 46029813

IUPAC1-[3,5-bis(2-chlorophenyl)-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone
SMILESO=C(CN1CCOCC1)N1N=C(c2ccccc2Cl)CC1c1ccccc1Cl
InChIInChI=1S/C21H21Cl2N3O2/c22-17-7-3-1-5-15(17)19-13-20(16-6-2-4-8-18(16)23)26(24-19)21(27)14-25-9-11-28-12-10-25/h1-8,20H,9-14H2
InChIKeyCYCWOOZJFIRVNO-UHFFFAOYSA-N
MW418.32 g/mol
LogP4.00
Rot. Bonds4

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

1-[3,5-bis(2-chlorophenyl)-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone (PubChem CID 46029813) has the molecular formula C21H21Cl2N3O2 and a molecular weight of 418.32 g/mol. Its IUPAC name is 1-[3,5-bis(2-chlorophenyl)-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-[3,5-bis(2-chlorophenyl)-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone
PubChem CID46029813
Molecular FormulaC21H21Cl2N3O2
Molecular Weight418.32 g/mol
Exact Mass417.10
IUPAC Name1-[3,5-bis(2-chlorophenyl)-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone
SMILESO=C(CN1CCOCC1)N1N=C(c2ccccc2Cl)CC1c1ccccc1Cl
InChIInChI=1S/C21H21Cl2N3O2/c22-17-7-3-1-5-15(17)19-13-20(16-6-2-4-8-18(16)23)26(24-19)21(27)14-25-9-11-28-12-10-25/h1-8,20H,9-14H2
InChIKeyCYCWOOZJFIRVNO-UHFFFAOYSA-N
XLogP4.00
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.32
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3,5-bis(2-chlorophenyl)-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone?
The IUPAC name of 1-[3,5-bis(2-chlorophenyl)-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone (CID 46029813) is 1-[3,5-bis(2-chlorophenyl)-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-[3,5-bis(2-chlorophenyl)-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone?
The canonical SMILES for 1-[3,5-bis(2-chlorophenyl)-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone is O=C(CN1CCOCC1)N1N=C(c2ccccc2Cl)CC1c1ccccc1Cl.
What is the InChIKey of 1-[3,5-bis(2-chlorophenyl)-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone?
The InChIKey is CYCWOOZJFIRVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2N3O2/c22-17-7-3-1-5-15(17)19-13-20(16-6-2-4-8-18(16)23)26(24-19)21(27)14-25-9-11-28-12-10-25/h1-8,20H,9-14H2.
What are the key properties of 1-[3,5-bis(2-chlorophenyl)-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone?
1-[3,5-bis(2-chlorophenyl)-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone has a molecular weight of 418.32 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-bis(2-chlorophenyl)-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone is sourced from PubChem (CID 46029813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).