1-[2-[3,5-bis(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1-methyl-3-propan-2-ylurea

C22H24F2N4O2 — CID 83283445

IUPAC1-[2-[3,5-bis(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1-methyl-3-propan-2-ylurea
SMILESCC(C)NC(=O)N(C)CC(=O)N1N=C(c2ccccc2F)CC1c1ccccc1F
InChIInChI=1S/C22H24F2N4O2/c1-14(2)25-22(30)27(3)13-21(29)28-20(16-9-5-7-11-18(16)24)12-19(26-28)15-8-4-6-10-17(15)23/h4-11,14,20H,12-13H2,1-3H3,(H,25,30)
InChIKeyHBPBREHLCVLVTG-UHFFFAOYSA-N
MW414.46 g/mol
LogP3.69
Rot. Bonds5

About 1-[2-[3,5-bis(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1-methyl-3-propan-2-ylurea

1-[2-[3,5-bis(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1-methyl-3-propan-2-ylurea (PubChem CID 83283445) has the molecular formula C22H24F2N4O2 and a molecular weight of 414.46 g/mol. Its IUPAC name is 1-[2-[3,5-bis(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1-methyl-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[2-[3,5-bis(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1-methyl-3-propan-2-ylurea
PubChem CID83283445
Molecular FormulaC22H24F2N4O2
Molecular Weight414.46 g/mol
Exact Mass414.19
IUPAC Name1-[2-[3,5-bis(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1-methyl-3-propan-2-ylurea
SMILESCC(C)NC(=O)N(C)CC(=O)N1N=C(c2ccccc2F)CC1c1ccccc1F
InChIInChI=1S/C22H24F2N4O2/c1-14(2)25-22(30)27(3)13-21(29)28-20(16-9-5-7-11-18(16)24)12-19(26-28)15-8-4-6-10-17(15)23/h4-11,14,20H,12-13H2,1-3H3,(H,25,30)
InChIKeyHBPBREHLCVLVTG-UHFFFAOYSA-N
XLogP3.69
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[3,5-bis(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1-methyl-3-propan-2-ylurea?
The IUPAC name of 1-[2-[3,5-bis(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1-methyl-3-propan-2-ylurea (CID 83283445) is 1-[2-[3,5-bis(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1-methyl-3-propan-2-ylurea.
What is the SMILES notation for 1-[2-[3,5-bis(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1-methyl-3-propan-2-ylurea?
The canonical SMILES for 1-[2-[3,5-bis(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1-methyl-3-propan-2-ylurea is CC(C)NC(=O)N(C)CC(=O)N1N=C(c2ccccc2F)CC1c1ccccc1F.
What is the InChIKey of 1-[2-[3,5-bis(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1-methyl-3-propan-2-ylurea?
The InChIKey is HBPBREHLCVLVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N4O2/c1-14(2)25-22(30)27(3)13-21(29)28-20(16-9-5-7-11-18(16)24)12-19(26-28)15-8-4-6-10-17(15)23/h4-11,14,20H,12-13H2,1-3H3,(H,25,30).
What are the key properties of 1-[2-[3,5-bis(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1-methyl-3-propan-2-ylurea?
1-[2-[3,5-bis(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1-methyl-3-propan-2-ylurea has a molecular weight of 414.46 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3,5-bis(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1-methyl-3-propan-2-ylurea is sourced from PubChem (CID 83283445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).