1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[1-(oxolan-2-yl)propyl]urea

C13H20F2N4O2 — CID 71909215

IUPAC1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[1-(oxolan-2-yl)propyl]urea
SMILESCCC(NC(=O)Nc1ccn(CC(F)F)n1)C1CCCO1
InChIInChI=1S/C13H20F2N4O2/c1-2-9(10-4-3-7-21-10)16-13(20)17-12-5-6-19(18-12)8-11(14)15/h5-6,9-11H,2-4,7-8H2,1H3,(H2,16,17,18,20)
InChIKeyLFQVCQJOPBOYQB-UHFFFAOYSA-N
MW302.32 g/mol
LogP2.23
Rot. Bonds6

About 1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[1-(oxolan-2-yl)propyl]urea

1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[1-(oxolan-2-yl)propyl]urea (PubChem CID 71909215) has the molecular formula C13H20F2N4O2 and a molecular weight of 302.32 g/mol. Its IUPAC name is 1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[1-(oxolan-2-yl)propyl]urea.

Molecular Properties

Compound Name1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[1-(oxolan-2-yl)propyl]urea
PubChem CID71909215
Molecular FormulaC13H20F2N4O2
Molecular Weight302.32 g/mol
Exact Mass302.16
IUPAC Name1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[1-(oxolan-2-yl)propyl]urea
SMILESCCC(NC(=O)Nc1ccn(CC(F)F)n1)C1CCCO1
InChIInChI=1S/C13H20F2N4O2/c1-2-9(10-4-3-7-21-10)16-13(20)17-12-5-6-19(18-12)8-11(14)15/h5-6,9-11H,2-4,7-8H2,1H3,(H2,16,17,18,20)
InChIKeyLFQVCQJOPBOYQB-UHFFFAOYSA-N
XLogP2.23
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[1-(oxolan-2-yl)propyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 94201395
CID 94201395
CID 97063114
CID 97063114
CID 138001530
CID 138001530
CID 71924041
CID 71924041
CID 75499428
CID 75499428
CID 96483439
CID 96483439
CID 96483440
CID 96483440
CID 96483441
CID 96483441
CID 96483442
CID 96483442
CID 97095878
CID 97095878
CID 97095879
CID 97095879
CID 97095880
CID 97095880

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[1-(oxolan-2-yl)propyl]urea?
The IUPAC name of 1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[1-(oxolan-2-yl)propyl]urea (CID 71909215) is 1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[1-(oxolan-2-yl)propyl]urea.
What is the SMILES notation for 1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[1-(oxolan-2-yl)propyl]urea?
The canonical SMILES for 1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[1-(oxolan-2-yl)propyl]urea is CCC(NC(=O)Nc1ccn(CC(F)F)n1)C1CCCO1.
What is the InChIKey of 1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[1-(oxolan-2-yl)propyl]urea?
The InChIKey is LFQVCQJOPBOYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N4O2/c1-2-9(10-4-3-7-21-10)16-13(20)17-12-5-6-19(18-12)8-11(14)15/h5-6,9-11H,2-4,7-8H2,1H3,(H2,16,17,18,20).
What are the key properties of 1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[1-(oxolan-2-yl)propyl]urea?
1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[1-(oxolan-2-yl)propyl]urea has a molecular weight of 302.32 g/mol, XLogP of 2.23, 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-[1-(oxolan-2-yl)propyl]urea is sourced from PubChem (CID 71909215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).