1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-3-[[(3S)-1-methylpiperidin-3-yl]methyl]urea

C18H24FN5O — CID 97249783

IUPAC1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-3-[[(3S)-1-methylpiperidin-3-yl]methyl]urea
SMILESCN1CCC[C@@H](CNC(=O)NCc2ccn(-c3ccc(F)cc3)n2)C1
InChIInChI=1S/C18H24FN5O/c1-23-9-2-3-14(13-23)11-20-18(25)21-12-16-8-10-24(22-16)17-6-4-15(19)5-7-17/h4-8,10,14H,2-3,9,11-13H2,1H3,(H2,20,21,25)/t14-/m0/s1
InChIKeyCPKBWILXZVKOHN-AWEZNQCLSA-N
MW345.42 g/mol
LogP2.15
Rot. Bonds5

About 1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-3-[[(3S)-1-methylpiperidin-3-yl]methyl]urea

1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-3-[[(3S)-1-methylpiperidin-3-yl]methyl]urea (PubChem CID 97249783) has the molecular formula C18H24FN5O and a molecular weight of 345.42 g/mol. Its IUPAC name is 1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-3-[[(3S)-1-methylpiperidin-3-yl]methyl]urea.

Molecular Properties

Compound Name1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-3-[[(3S)-1-methylpiperidin-3-yl]methyl]urea
PubChem CID97249783
Molecular FormulaC18H24FN5O
Molecular Weight345.42 g/mol
Exact Mass345.20
IUPAC Name1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-3-[[(3S)-1-methylpiperidin-3-yl]methyl]urea
SMILESCN1CCC[C@@H](CNC(=O)NCc2ccn(-c3ccc(F)cc3)n2)C1
InChIInChI=1S/C18H24FN5O/c1-23-9-2-3-14(13-23)11-20-18(25)21-12-16-8-10-24(22-16)17-6-4-15(19)5-7-17/h4-8,10,14H,2-3,9,11-13H2,1H3,(H2,20,21,25)/t14-/m0/s1
InChIKeyCPKBWILXZVKOHN-AWEZNQCLSA-N
XLogP2.15
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-3-[[(3S)-1-methylpiperidin-3-yl]methyl]urea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-3-[[(3S)-1-methylpiperidin-3-yl]methyl]urea?
The IUPAC name of 1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-3-[[(3S)-1-methylpiperidin-3-yl]methyl]urea (CID 97249783) is 1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-3-[[(3S)-1-methylpiperidin-3-yl]methyl]urea.
What is the SMILES notation for 1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-3-[[(3S)-1-methylpiperidin-3-yl]methyl]urea?
The canonical SMILES for 1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-3-[[(3S)-1-methylpiperidin-3-yl]methyl]urea is CN1CCC[C@@H](CNC(=O)NCc2ccn(-c3ccc(F)cc3)n2)C1.
What is the InChIKey of 1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-3-[[(3S)-1-methylpiperidin-3-yl]methyl]urea?
The InChIKey is CPKBWILXZVKOHN-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H24FN5O/c1-23-9-2-3-14(13-23)11-20-18(25)21-12-16-8-10-24(22-16)17-6-4-15(19)5-7-17/h4-8,10,14H,2-3,9,11-13H2,1H3,(H2,20,21,25)/t14-/m0/s1.
What are the key properties of 1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-3-[[(3S)-1-methylpiperidin-3-yl]methyl]urea?
1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-3-[[(3S)-1-methylpiperidin-3-yl]methyl]urea has a molecular weight of 345.42 g/mol, XLogP of 2.15, 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-[[(3S)-1-methylpiperidin-3-yl]methyl]urea is sourced from PubChem (CID 97249783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).