1-(3-fluorophenyl)-3-[2-[1-(2-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]urea

C24H28FN5O — CID 45200333

IUPAC1-(3-fluorophenyl)-3-[2-[1-(2-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]urea
SMILESCC(CN1CCC(n2nccc2NC(=O)Nc2cccc(F)c2)CC1)c1ccccc1
InChIInChI=1S/C24H28FN5O/c1-18(19-6-3-2-4-7-19)17-29-14-11-22(12-15-29)30-23(10-13-26-30)28-24(31)27-21-9-5-8-20(25)16-21/h2-10,13,16,18,22H,11-12,14-15,17H2,1H3,(H2,27,28,31)
InChIKeySFVWEYOBZGTZJZ-UHFFFAOYSA-N
MW421.52 g/mol
LogP5.11
Rot. Bonds6

About 1-(3-fluorophenyl)-3-[2-[1-(2-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]urea

1-(3-fluorophenyl)-3-[2-[1-(2-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]urea (PubChem CID 45200333) has the molecular formula C24H28FN5O and a molecular weight of 421.52 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-[2-[1-(2-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]urea.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-[2-[1-(2-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]urea
PubChem CID45200333
Molecular FormulaC24H28FN5O
Molecular Weight421.52 g/mol
Exact Mass421.23
IUPAC Name1-(3-fluorophenyl)-3-[2-[1-(2-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]urea
SMILESCC(CN1CCC(n2nccc2NC(=O)Nc2cccc(F)c2)CC1)c1ccccc1
InChIInChI=1S/C24H28FN5O/c1-18(19-6-3-2-4-7-19)17-29-14-11-22(12-15-29)30-23(10-13-26-30)28-24(31)27-21-9-5-8-20(25)16-21/h2-10,13,16,18,22H,11-12,14-15,17H2,1H3,(H2,27,28,31)
InChIKeySFVWEYOBZGTZJZ-UHFFFAOYSA-N
XLogP5.11
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.52
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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1-[4-(4-Fluorophenyl)-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-3-phenyl-urea
CID 2810694
1-(4-Fluorophenyl)-3-[2-methyl-5-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]urea
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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-[2-[1-(2-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]urea?
The IUPAC name of 1-(3-fluorophenyl)-3-[2-[1-(2-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]urea (CID 45200333) is 1-(3-fluorophenyl)-3-[2-[1-(2-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]urea.
What is the SMILES notation for 1-(3-fluorophenyl)-3-[2-[1-(2-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]urea?
The canonical SMILES for 1-(3-fluorophenyl)-3-[2-[1-(2-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]urea is CC(CN1CCC(n2nccc2NC(=O)Nc2cccc(F)c2)CC1)c1ccccc1.
What is the InChIKey of 1-(3-fluorophenyl)-3-[2-[1-(2-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]urea?
The InChIKey is SFVWEYOBZGTZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN5O/c1-18(19-6-3-2-4-7-19)17-29-14-11-22(12-15-29)30-23(10-13-26-30)28-24(31)27-21-9-5-8-20(25)16-21/h2-10,13,16,18,22H,11-12,14-15,17H2,1H3,(H2,27,28,31).
What are the key properties of 1-(3-fluorophenyl)-3-[2-[1-(2-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]urea?
1-(3-fluorophenyl)-3-[2-[1-(2-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]urea has a molecular weight of 421.52 g/mol, XLogP of 5.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-[2-[1-(2-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]urea is sourced from PubChem (CID 45200333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).