1-[3-(2,2-difluorocyclopropyl)-1-phenylpyrazol-5-yl]-3-(4-methoxyphenyl)urea

C20H18F2N4O2 — CID 118715812

IUPAC1-[3-(2,2-difluorocyclopropyl)-1-phenylpyrazol-5-yl]-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2cc(C3CC3(F)F)nn2-c2ccccc2)cc1
InChIInChI=1S/C20H18F2N4O2/c1-28-15-9-7-13(8-10-15)23-19(27)24-18-11-17(16-12-20(16,21)22)25-26(18)14-5-3-2-4-6-14/h2-11,16H,12H2,1H3,(H2,23,24,27)
InChIKeyTUOHHLXYYCXSDC-UHFFFAOYSA-N
MW384.39 g/mol
LogP4.65
Rot. Bonds5

About 1-[3-(2,2-difluorocyclopropyl)-1-phenylpyrazol-5-yl]-3-(4-methoxyphenyl)urea

1-[3-(2,2-difluorocyclopropyl)-1-phenylpyrazol-5-yl]-3-(4-methoxyphenyl)urea (PubChem CID 118715812) has the molecular formula C20H18F2N4O2 and a molecular weight of 384.39 g/mol. Its IUPAC name is 1-[3-(2,2-difluorocyclopropyl)-1-phenylpyrazol-5-yl]-3-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[3-(2,2-difluorocyclopropyl)-1-phenylpyrazol-5-yl]-3-(4-methoxyphenyl)urea
PubChem CID118715812
Molecular FormulaC20H18F2N4O2
Molecular Weight384.39 g/mol
Exact Mass384.14
IUPAC Name1-[3-(2,2-difluorocyclopropyl)-1-phenylpyrazol-5-yl]-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2cc(C3CC3(F)F)nn2-c2ccccc2)cc1
InChIInChI=1S/C20H18F2N4O2/c1-28-15-9-7-13(8-10-15)23-19(27)24-18-11-17(16-12-20(16,21)22)25-26(18)14-5-3-2-4-6-14/h2-11,16H,12H2,1H3,(H2,23,24,27)
InChIKeyTUOHHLXYYCXSDC-UHFFFAOYSA-N
XLogP4.65
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,2-difluorocyclopropyl)-1-phenylpyrazol-5-yl]-3-(4-methoxyphenyl)urea?
The IUPAC name of 1-[3-(2,2-difluorocyclopropyl)-1-phenylpyrazol-5-yl]-3-(4-methoxyphenyl)urea (CID 118715812) is 1-[3-(2,2-difluorocyclopropyl)-1-phenylpyrazol-5-yl]-3-(4-methoxyphenyl)urea.
What is the SMILES notation for 1-[3-(2,2-difluorocyclopropyl)-1-phenylpyrazol-5-yl]-3-(4-methoxyphenyl)urea?
The canonical SMILES for 1-[3-(2,2-difluorocyclopropyl)-1-phenylpyrazol-5-yl]-3-(4-methoxyphenyl)urea is COc1ccc(NC(=O)Nc2cc(C3CC3(F)F)nn2-c2ccccc2)cc1.
What is the InChIKey of 1-[3-(2,2-difluorocyclopropyl)-1-phenylpyrazol-5-yl]-3-(4-methoxyphenyl)urea?
The InChIKey is TUOHHLXYYCXSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O2/c1-28-15-9-7-13(8-10-15)23-19(27)24-18-11-17(16-12-20(16,21)22)25-26(18)14-5-3-2-4-6-14/h2-11,16H,12H2,1H3,(H2,23,24,27).
What are the key properties of 1-[3-(2,2-difluorocyclopropyl)-1-phenylpyrazol-5-yl]-3-(4-methoxyphenyl)urea?
1-[3-(2,2-difluorocyclopropyl)-1-phenylpyrazol-5-yl]-3-(4-methoxyphenyl)urea has a molecular weight of 384.39 g/mol, XLogP of 4.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,2-difluorocyclopropyl)-1-phenylpyrazol-5-yl]-3-(4-methoxyphenyl)urea is sourced from PubChem (CID 118715812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).