3-[4-(3-fluorophenyl)phenyl]-1-methyl-1-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]urea

C23H24FN5O2 — CID 20782436

IUPAC3-[4-(3-fluorophenyl)phenyl]-1-methyl-1-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]urea
SMILESCN(C(=O)Nc1ccc(-c2cccc(F)c2)cc1)C1CCN(C(=O)c2cn[nH]c2)CC1
InChIInChI=1S/C23H24FN5O2/c1-28(21-9-11-29(12-10-21)22(30)18-14-25-26-15-18)23(31)27-20-7-5-16(6-8-20)17-3-2-4-19(24)13-17/h2-8,13-15,21H,9-12H2,1H3,(H,25,26)(H,27,31)
InChIKeyQAQWSUADISGQHR-UHFFFAOYSA-N
MW421.48 g/mol
LogP3.98
Rot. Bonds4

About 3-[4-(3-fluorophenyl)phenyl]-1-methyl-1-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]urea

3-[4-(3-fluorophenyl)phenyl]-1-methyl-1-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]urea (PubChem CID 20782436) has the molecular formula C23H24FN5O2 and a molecular weight of 421.48 g/mol. Its IUPAC name is 3-[4-(3-fluorophenyl)phenyl]-1-methyl-1-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name3-[4-(3-fluorophenyl)phenyl]-1-methyl-1-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]urea
PubChem CID20782436
Molecular FormulaC23H24FN5O2
Molecular Weight421.48 g/mol
Exact Mass421.19
IUPAC Name3-[4-(3-fluorophenyl)phenyl]-1-methyl-1-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]urea
SMILESCN(C(=O)Nc1ccc(-c2cccc(F)c2)cc1)C1CCN(C(=O)c2cn[nH]c2)CC1
InChIInChI=1S/C23H24FN5O2/c1-28(21-9-11-29(12-10-21)22(30)18-14-25-26-15-18)23(31)27-20-7-5-16(6-8-20)17-3-2-4-19(24)13-17/h2-8,13-15,21H,9-12H2,1H3,(H,25,26)(H,27,31)
InChIKeyQAQWSUADISGQHR-UHFFFAOYSA-N
XLogP3.98
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-fluorophenyl)phenyl]-1-methyl-1-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]urea?
The IUPAC name of 3-[4-(3-fluorophenyl)phenyl]-1-methyl-1-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]urea (CID 20782436) is 3-[4-(3-fluorophenyl)phenyl]-1-methyl-1-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]urea.
What is the SMILES notation for 3-[4-(3-fluorophenyl)phenyl]-1-methyl-1-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]urea?
The canonical SMILES for 3-[4-(3-fluorophenyl)phenyl]-1-methyl-1-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]urea is CN(C(=O)Nc1ccc(-c2cccc(F)c2)cc1)C1CCN(C(=O)c2cn[nH]c2)CC1.
What is the InChIKey of 3-[4-(3-fluorophenyl)phenyl]-1-methyl-1-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]urea?
The InChIKey is QAQWSUADISGQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O2/c1-28(21-9-11-29(12-10-21)22(30)18-14-25-26-15-18)23(31)27-20-7-5-16(6-8-20)17-3-2-4-19(24)13-17/h2-8,13-15,21H,9-12H2,1H3,(H,25,26)(H,27,31).
What are the key properties of 3-[4-(3-fluorophenyl)phenyl]-1-methyl-1-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]urea?
3-[4-(3-fluorophenyl)phenyl]-1-methyl-1-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]urea has a molecular weight of 421.48 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-fluorophenyl)phenyl]-1-methyl-1-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]urea is sourced from PubChem (CID 20782436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).