N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-3-fluorobenzamide

C22H23FN4O — CID 42302028

IUPACN-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-3-fluorobenzamide
SMILESO=C(Nc1ccnn1C1CCN(Cc2ccccc2)CC1)c1cccc(F)c1
InChIInChI=1S/C22H23FN4O/c23-19-8-4-7-18(15-19)22(28)25-21-9-12-24-27(21)20-10-13-26(14-11-20)16-17-5-2-1-3-6-17/h1-9,12,15,20H,10-11,13-14,16H2,(H,25,28)
InChIKeyYARABJZHZLUNMF-UHFFFAOYSA-N
MW378.45 g/mol
LogP4.11
Rot. Bonds5

About N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-3-fluorobenzamide

N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-3-fluorobenzamide (PubChem CID 42302028) has the molecular formula C22H23FN4O and a molecular weight of 378.45 g/mol. Its IUPAC name is N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-3-fluorobenzamide
PubChem CID42302028
Molecular FormulaC22H23FN4O
Molecular Weight378.45 g/mol
Exact Mass378.19
IUPAC NameN-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-3-fluorobenzamide
SMILESO=C(Nc1ccnn1C1CCN(Cc2ccccc2)CC1)c1cccc(F)c1
InChIInChI=1S/C22H23FN4O/c23-19-8-4-7-18(15-19)22(28)25-21-9-12-24-27(21)20-10-13-26(14-11-20)16-17-5-2-1-3-6-17/h1-9,12,15,20H,10-11,13-14,16H2,(H,25,28)
InChIKeyYARABJZHZLUNMF-UHFFFAOYSA-N
XLogP4.11
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide
CID 24791290
3-fluoro-N-[2-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
CID 25291943
3-fluoro-N-[2-[1-(3-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]benzamide
CID 24791274
3-fluoro-N-[2-[1-(quinolin-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide
CID 42291969
N-[2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
CID 42211407
3-fluoro-N-[2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
CID 25366302
3-fluoro-N-[2-[1-[(3-phenylpyrazolidin-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
CID 74775014
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-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazol-3-yl]pyridine-3-carboxamide
CID 42194902
2-chloro-N-[2-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
CID 42244340
N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-2-methoxybenzamide
CID 25450557
3-fluoro-N-[2-[1-[[5-(2-methylpropyl)pyrazolidin-3-yl]methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
CID 74812362

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-3-fluorobenzamide?
The IUPAC name of N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-3-fluorobenzamide (CID 42302028) is N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-3-fluorobenzamide.
What is the SMILES notation for N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-3-fluorobenzamide?
The canonical SMILES for N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-3-fluorobenzamide is O=C(Nc1ccnn1C1CCN(Cc2ccccc2)CC1)c1cccc(F)c1.
What is the InChIKey of N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-3-fluorobenzamide?
The InChIKey is YARABJZHZLUNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O/c23-19-8-4-7-18(15-19)22(28)25-21-9-12-24-27(21)20-10-13-26(14-11-20)16-17-5-2-1-3-6-17/h1-9,12,15,20H,10-11,13-14,16H2,(H,25,28).
What are the key properties of N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-3-fluorobenzamide?
N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-3-fluorobenzamide has a molecular weight of 378.45 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-3-fluorobenzamide is sourced from PubChem (CID 42302028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).