1-[2-[(3S)-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3-propylurea

C19H21FN4O2S — CID 93133280

About 1-[2-[(3S)-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3-propylurea

1-[2-[(3S)-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3-propylurea (PubChem CID 93133280) has the molecular formula C19H21FN4O2S and a molecular weight of 388.47 g/mol. Its IUPAC name is 1-[2-[(3S)-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3-propylurea.

Molecular Properties

• Compound Name: 1-[2-[(3S)-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3-propylurea
• PubChem CID: 93133280
• Molecular Formula: C19H21FN4O2S
• Molecular Weight: 388.47 g/mol
• Exact Mass: 388.14
• IUPAC Name: 1-[2-[(3S)-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3-propylurea
• SMILES: CCCNC(=O)NCC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(F)cc1
• InChI: InChI=1S/C19H21FN4O2S/c1-2-9-21-19(26)22-12-18(25)24-16(13-5-7-14(20)8-6-13)11-15(23-24)17-4-3-10-27-17/h3-8,10,16H,2,9,11-12H2,1H3,(H2,21,22,26)/t16-/m0/s1
• InChIKey: DCELJWJBYDYCIY-INIZCTEOSA-N
• XLogP: 3.27
• TPSA: 73.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.47
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3S)-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3-propylurea?

The IUPAC name of 1-[2-[(3S)-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3-propylurea (CID 93133280) is 1-[2-[(3S)-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3-propylurea.

What is the SMILES notation for 1-[2-[(3S)-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3-propylurea?

The canonical SMILES for 1-[2-[(3S)-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3-propylurea is CCCNC(=O)NCC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(F)cc1.

What is the InChIKey of 1-[2-[(3S)-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3-propylurea?

The InChIKey is DCELJWJBYDYCIY-INIZCTEOSA-N. The full InChI is InChI=1S/C19H21FN4O2S/c1-2-9-21-19(26)22-12-18(25)24-16(13-5-7-14(20)8-6-13)11-15(23-24)17-4-3-10-27-17/h3-8,10,16H,2,9,11-12H2,1H3,(H2,21,22,26)/t16-/m0/s1.

What are the key properties of 1-[2-[(3S)-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3-propylurea?

1-[2-[(3S)-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3-propylurea has a molecular weight of 388.47 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[(3S)-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3-propylurea is sourced from PubChem (CID 93133280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).