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

C25H29FN6O — CID 74775014

IUPAC3-fluoro-N-[2-[1-[(3-phenylpyrazolidin-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESO=C(Nc1ccnn1C1CCN(CC2CNNC2c2ccccc2)CC1)c1cccc(F)c1
InChIInChI=1S/C25H29FN6O/c26-21-8-4-7-19(15-21)25(33)29-23-9-12-28-32(23)22-10-13-31(14-11-22)17-20-16-27-30-24(20)18-5-2-1-3-6-18/h1-9,12,15,20,22,24,27,30H,10-11,13-14,16-17H2,(H,29,33)
InChIKeyZVWQFCQSQSRWGN-UHFFFAOYSA-N
MW448.55 g/mol
LogP3.38
Rot. Bonds6

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

3-fluoro-N-[2-[1-[(3-phenylpyrazolidin-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide (PubChem CID 74775014) has the molecular formula C25H29FN6O and a molecular weight of 448.55 g/mol. Its IUPAC name is 3-fluoro-N-[2-[1-[(3-phenylpyrazolidin-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-[1-[(3-phenylpyrazolidin-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
PubChem CID74775014
Molecular FormulaC25H29FN6O
Molecular Weight448.55 g/mol
Exact Mass448.24
IUPAC Name3-fluoro-N-[2-[1-[(3-phenylpyrazolidin-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESO=C(Nc1ccnn1C1CCN(CC2CNNC2c2ccccc2)CC1)c1cccc(F)c1
InChIInChI=1S/C25H29FN6O/c26-21-8-4-7-19(15-21)25(33)29-23-9-12-28-32(23)22-10-13-31(14-11-22)17-20-16-27-30-24(20)18-5-2-1-3-6-18/h1-9,12,15,20,22,24,27,30H,10-11,13-14,16-17H2,(H,29,33)
InChIKeyZVWQFCQSQSRWGN-UHFFFAOYSA-N
XLogP3.38
TPSA74.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.55
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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N-[2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
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N-(2-cyclohexylpyrazol-3-yl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-[1-[(3-phenylpyrazolidin-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
The IUPAC name of 3-fluoro-N-[2-[1-[(3-phenylpyrazolidin-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide (CID 74775014) is 3-fluoro-N-[2-[1-[(3-phenylpyrazolidin-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide.
What is the SMILES notation for 3-fluoro-N-[2-[1-[(3-phenylpyrazolidin-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
The canonical SMILES for 3-fluoro-N-[2-[1-[(3-phenylpyrazolidin-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide is O=C(Nc1ccnn1C1CCN(CC2CNNC2c2ccccc2)CC1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[2-[1-[(3-phenylpyrazolidin-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
The InChIKey is ZVWQFCQSQSRWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN6O/c26-21-8-4-7-19(15-21)25(33)29-23-9-12-28-32(23)22-10-13-31(14-11-22)17-20-16-27-30-24(20)18-5-2-1-3-6-18/h1-9,12,15,20,22,24,27,30H,10-11,13-14,16-17H2,(H,29,33).
What are the key properties of 3-fluoro-N-[2-[1-[(3-phenylpyrazolidin-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
3-fluoro-N-[2-[1-[(3-phenylpyrazolidin-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide has a molecular weight of 448.55 g/mol, XLogP of 3.38, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-[1-[(3-phenylpyrazolidin-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 74775014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).