3-fluoro-N-[2-[1-(3-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]benzamide

C24H27FN4O — CID 24791274

IUPAC3-fluoro-N-[2-[1-(3-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESO=C(Nc1ccnn1C1CCN(CCCc2ccccc2)CC1)c1cccc(F)c1
InChIInChI=1S/C24H27FN4O/c25-21-10-4-9-20(18-21)24(30)27-23-11-14-26-29(23)22-12-16-28(17-13-22)15-5-8-19-6-2-1-3-7-19/h1-4,6-7,9-11,14,18,22H,5,8,12-13,15-17H2,(H,27,30)
InChIKeyGVFHKFSBMUJZTF-UHFFFAOYSA-N
MW406.51 g/mol
LogP4.54
Rot. Bonds7

About 3-fluoro-N-[2-[1-(3-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]benzamide

3-fluoro-N-[2-[1-(3-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]benzamide (PubChem CID 24791274) has the molecular formula C24H27FN4O and a molecular weight of 406.51 g/mol. Its IUPAC name is 3-fluoro-N-[2-[1-(3-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-[1-(3-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]benzamide
PubChem CID24791274
Molecular FormulaC24H27FN4O
Molecular Weight406.51 g/mol
Exact Mass406.22
IUPAC Name3-fluoro-N-[2-[1-(3-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESO=C(Nc1ccnn1C1CCN(CCCc2ccccc2)CC1)c1cccc(F)c1
InChIInChI=1S/C24H27FN4O/c25-21-10-4-9-20(18-21)24(30)27-23-11-14-26-29(23)22-12-16-28(17-13-22)15-5-8-19-6-2-1-3-7-19/h1-4,6-7,9-11,14,18,22H,5,8,12-13,15-17H2,(H,27,30)
InChIKeyGVFHKFSBMUJZTF-UHFFFAOYSA-N
XLogP4.54
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-3-fluorobenzamide
CID 42302028
N-[2-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide
CID 24791290
2-methyl-N-[2-[1-(3-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]benzamide
CID 24790620
3-fluoro-N-[2-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
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3-fluoro-N-[2-[1-(quinolin-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide
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3-fluoro-N-[2-[1-[(3-phenylpyrazolidin-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
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2-methoxy-2-phenyl-N-[2-[1-(3-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]acetamide
CID 45195177
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3-fluoro-N-[2-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide
CID 42150716
3-fluoro-N-[2-[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
CID 42528747
N-[2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
CID 42211407

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-[1-(3-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
The IUPAC name of 3-fluoro-N-[2-[1-(3-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]benzamide (CID 24791274) is 3-fluoro-N-[2-[1-(3-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]benzamide.
What is the SMILES notation for 3-fluoro-N-[2-[1-(3-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
The canonical SMILES for 3-fluoro-N-[2-[1-(3-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]benzamide is O=C(Nc1ccnn1C1CCN(CCCc2ccccc2)CC1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[2-[1-(3-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
The InChIKey is GVFHKFSBMUJZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O/c25-21-10-4-9-20(18-21)24(30)27-23-11-14-26-29(23)22-12-16-28(17-13-22)15-5-8-19-6-2-1-3-7-19/h1-4,6-7,9-11,14,18,22H,5,8,12-13,15-17H2,(H,27,30).
What are the key properties of 3-fluoro-N-[2-[1-(3-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
3-fluoro-N-[2-[1-(3-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]benzamide has a molecular weight of 406.51 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-[1-(3-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 24791274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).