1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[(2-propan-2-yloxolan-3-yl)methyl]urea

C14H22F2N4O2 — CID 71924041

IUPAC1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[(2-propan-2-yloxolan-3-yl)methyl]urea
SMILESCC(C)C1OCCC1CNC(=O)Nc1ccn(CC(F)F)n1
InChIInChI=1S/C14H22F2N4O2/c1-9(2)13-10(4-6-22-13)7-17-14(21)18-12-3-5-20(19-12)8-11(15)16/h3,5,9-11,13H,4,6-8H2,1-2H3,(H2,17,18,19,21)
InChIKeyFLELBERDVAMTNW-UHFFFAOYSA-N
MW316.35 g/mol
LogP2.33
Rot. Bonds6

About 1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[(2-propan-2-yloxolan-3-yl)methyl]urea

1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[(2-propan-2-yloxolan-3-yl)methyl]urea (PubChem CID 71924041) has the molecular formula C14H22F2N4O2 and a molecular weight of 316.35 g/mol. Its IUPAC name is 1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[(2-propan-2-yloxolan-3-yl)methyl]urea.

Molecular Properties

Compound Name1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[(2-propan-2-yloxolan-3-yl)methyl]urea
PubChem CID71924041
Molecular FormulaC14H22F2N4O2
Molecular Weight316.35 g/mol
Exact Mass316.17
IUPAC Name1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[(2-propan-2-yloxolan-3-yl)methyl]urea
SMILESCC(C)C1OCCC1CNC(=O)Nc1ccn(CC(F)F)n1
InChIInChI=1S/C14H22F2N4O2/c1-9(2)13-10(4-6-22-13)7-17-14(21)18-12-3-5-20(19-12)8-11(15)16/h3,5,9-11,13H,4,6-8H2,1-2H3,(H2,17,18,19,21)
InChIKeyFLELBERDVAMTNW-UHFFFAOYSA-N
XLogP2.33
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[(2-propan-2-yloxolan-3-yl)methyl]urea?
The IUPAC name of 1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[(2-propan-2-yloxolan-3-yl)methyl]urea (CID 71924041) is 1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[(2-propan-2-yloxolan-3-yl)methyl]urea.
What is the SMILES notation for 1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[(2-propan-2-yloxolan-3-yl)methyl]urea?
The canonical SMILES for 1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[(2-propan-2-yloxolan-3-yl)methyl]urea is CC(C)C1OCCC1CNC(=O)Nc1ccn(CC(F)F)n1.
What is the InChIKey of 1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[(2-propan-2-yloxolan-3-yl)methyl]urea?
The InChIKey is FLELBERDVAMTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N4O2/c1-9(2)13-10(4-6-22-13)7-17-14(21)18-12-3-5-20(19-12)8-11(15)16/h3,5,9-11,13H,4,6-8H2,1-2H3,(H2,17,18,19,21).
What are the key properties of 1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[(2-propan-2-yloxolan-3-yl)methyl]urea?
1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[(2-propan-2-yloxolan-3-yl)methyl]urea has a molecular weight of 316.35 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[(2-propan-2-yloxolan-3-yl)methyl]urea is sourced from PubChem (CID 71924041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).