N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-4-(4-methylpiperidin-1-yl)benzamide

C23H25FN4O — CID 46951892

IUPACN-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-4-(4-methylpiperidin-1-yl)benzamide
SMILESCC1CCN(c2ccc(C(=O)Nc3cnn(Cc4cccc(F)c4)c3)cc2)CC1
InChIInChI=1S/C23H25FN4O/c1-17-9-11-27(12-10-17)22-7-5-19(6-8-22)23(29)26-21-14-25-28(16-21)15-18-3-2-4-20(24)13-18/h2-8,13-14,16-17H,9-12,15H2,1H3,(H,26,29)
InChIKeyRWFYWLWDUGPWLF-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.56
Rot. Bonds5

About N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-4-(4-methylpiperidin-1-yl)benzamide

N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-4-(4-methylpiperidin-1-yl)benzamide (PubChem CID 46951892) has the molecular formula C23H25FN4O and a molecular weight of 392.48 g/mol. Its IUPAC name is N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-4-(4-methylpiperidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-4-(4-methylpiperidin-1-yl)benzamide
PubChem CID46951892
Molecular FormulaC23H25FN4O
Molecular Weight392.48 g/mol
Exact Mass392.20
IUPAC NameN-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-4-(4-methylpiperidin-1-yl)benzamide
SMILESCC1CCN(c2ccc(C(=O)Nc3cnn(Cc4cccc(F)c4)c3)cc2)CC1
InChIInChI=1S/C23H25FN4O/c1-17-9-11-27(12-10-17)22-7-5-19(6-8-22)23(29)26-21-14-25-28(16-21)15-18-3-2-4-20(24)13-18/h2-8,13-14,16-17H,9-12,15H2,1H3,(H,26,29)
InChIKeyRWFYWLWDUGPWLF-UHFFFAOYSA-N
XLogP4.56
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19338140
3,4-diethoxy-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19336383
3-bromo-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19336537
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3-(pyrazol-1-ylmethyl)benzamide
CID 19336525
2-[[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]carbamoyl]benzoic acid
CID 39853418
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2,6-dimethoxybenzamide
CID 19336532
4-chloro-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-methylpyrazole-5-carboxamide
CID 19475916
3-(1,3-dioxoisoindol-2-yl)-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19336412
4-[(4-chloro-3-nitropyrazol-1-yl)methyl]-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19584119
4-bromo-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-methylpyrazole-5-carboxamide
CID 19475123
1-ethyl-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19262297
4-fluoro-N-[4-[4-[(3-fluorophenyl)methyl]-1,4-diazepan-1-yl]phenyl]benzamide
CID 44528282

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-4-(4-methylpiperidin-1-yl)benzamide?
The IUPAC name of N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-4-(4-methylpiperidin-1-yl)benzamide (CID 46951892) is N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-4-(4-methylpiperidin-1-yl)benzamide.
What is the SMILES notation for N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-4-(4-methylpiperidin-1-yl)benzamide?
The canonical SMILES for N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-4-(4-methylpiperidin-1-yl)benzamide is CC1CCN(c2ccc(C(=O)Nc3cnn(Cc4cccc(F)c4)c3)cc2)CC1.
What is the InChIKey of N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-4-(4-methylpiperidin-1-yl)benzamide?
The InChIKey is RWFYWLWDUGPWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O/c1-17-9-11-27(12-10-17)22-7-5-19(6-8-22)23(29)26-21-14-25-28(16-21)15-18-3-2-4-20(24)13-18/h2-8,13-14,16-17H,9-12,15H2,1H3,(H,26,29).
What are the key properties of N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-4-(4-methylpiperidin-1-yl)benzamide?
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-4-(4-methylpiperidin-1-yl)benzamide has a molecular weight of 392.48 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-4-(4-methylpiperidin-1-yl)benzamide is sourced from PubChem (CID 46951892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).