1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-3-[1-(oxolan-3-yl)ethyl]urea

C17H21FN4O2 — CID 71967371

IUPAC1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-3-[1-(oxolan-3-yl)ethyl]urea
SMILESCC(NC(=O)NCc1ccn(-c2ccc(F)cc2)n1)C1CCOC1
InChIInChI=1S/C17H21FN4O2/c1-12(13-7-9-24-11-13)20-17(23)19-10-15-6-8-22(21-15)16-4-2-14(18)3-5-16/h2-6,8,12-13H,7,9-11H2,1H3,(H2,19,20,23)
InChIKeyQZVYCVUHOBYGBC-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.24
Rot. Bonds5

About 1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-3-[1-(oxolan-3-yl)ethyl]urea

1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-3-[1-(oxolan-3-yl)ethyl]urea (PubChem CID 71967371) has the molecular formula C17H21FN4O2 and a molecular weight of 332.38 g/mol. Its IUPAC name is 1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-3-[1-(oxolan-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-3-[1-(oxolan-3-yl)ethyl]urea
PubChem CID71967371
Molecular FormulaC17H21FN4O2
Molecular Weight332.38 g/mol
Exact Mass332.16
IUPAC Name1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-3-[1-(oxolan-3-yl)ethyl]urea
SMILESCC(NC(=O)NCc1ccn(-c2ccc(F)cc2)n1)C1CCOC1
InChIInChI=1S/C17H21FN4O2/c1-12(13-7-9-24-11-13)20-17(23)19-10-15-6-8-22(21-15)16-4-2-14(18)3-5-16/h2-6,8,12-13H,7,9-11H2,1H3,(H2,19,20,23)
InChIKeyQZVYCVUHOBYGBC-UHFFFAOYSA-N
XLogP2.24
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-3-[1-(oxolan-3-yl)ethyl]urea?
The IUPAC name of 1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-3-[1-(oxolan-3-yl)ethyl]urea (CID 71967371) is 1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-3-[1-(oxolan-3-yl)ethyl]urea.
What is the SMILES notation for 1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-3-[1-(oxolan-3-yl)ethyl]urea?
The canonical SMILES for 1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-3-[1-(oxolan-3-yl)ethyl]urea is CC(NC(=O)NCc1ccn(-c2ccc(F)cc2)n1)C1CCOC1.
What is the InChIKey of 1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-3-[1-(oxolan-3-yl)ethyl]urea?
The InChIKey is QZVYCVUHOBYGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O2/c1-12(13-7-9-24-11-13)20-17(23)19-10-15-6-8-22(21-15)16-4-2-14(18)3-5-16/h2-6,8,12-13H,7,9-11H2,1H3,(H2,19,20,23).
What are the key properties of 1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-3-[1-(oxolan-3-yl)ethyl]urea?
1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-3-[1-(oxolan-3-yl)ethyl]urea has a molecular weight of 332.38 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-3-[1-(oxolan-3-yl)ethyl]urea is sourced from PubChem (CID 71967371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).