3-fluoro-4-methyl-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide

C22H23FN4O — CID 75528488

IUPAC3-fluoro-4-methyl-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
SMILESCc1ccc(C(=O)NC2CCN(c3cc(-c4ccccc4)[nH]n3)CC2)cc1F
InChIInChI=1S/C22H23FN4O/c1-15-7-8-17(13-19(15)23)22(28)24-18-9-11-27(12-10-18)21-14-20(25-26-21)16-5-3-2-4-6-16/h2-8,13-14,18H,9-12H2,1H3,(H,24,28)(H,25,26)
InChIKeyNGTYZAZLRWKTFU-UHFFFAOYSA-N
MW378.45 g/mol
LogP3.92
Rot. Bonds4

About 3-fluoro-4-methyl-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide

3-fluoro-4-methyl-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide (PubChem CID 75528488) has the molecular formula C22H23FN4O and a molecular weight of 378.45 g/mol. Its IUPAC name is 3-fluoro-4-methyl-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-methyl-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
PubChem CID75528488
Molecular FormulaC22H23FN4O
Molecular Weight378.45 g/mol
Exact Mass378.19
IUPAC Name3-fluoro-4-methyl-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
SMILESCc1ccc(C(=O)NC2CCN(c3cc(-c4ccccc4)[nH]n3)CC2)cc1F
InChIInChI=1S/C22H23FN4O/c1-15-7-8-17(13-19(15)23)22(28)24-18-9-11-27(12-10-18)21-14-20(25-26-21)16-5-3-2-4-6-16/h2-8,13-14,18H,9-12H2,1H3,(H,24,28)(H,25,26)
InChIKeyNGTYZAZLRWKTFU-UHFFFAOYSA-N
XLogP3.92
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-4-methyl-N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide
CID 99740769
N-[(3R)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3-fluoro-4-methylbenzamide
CID 99741527
N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide
CID 75528231
2,4-dimethyl-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
CID 75528162
4-methoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
CID 75528146
3-methoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
CID 75528481
4-methoxy-2-methyl-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
CID 75528170
4-acetamido-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide
CID 75528414
3-chloro-4-fluoro-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide
CID 75528340
4-methoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide
CID 91914563
N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]-2,5-dimethylbenzamide
CID 75528432
N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]-1H-indole-6-carboxamide
CID 99741208

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide?
The IUPAC name of 3-fluoro-4-methyl-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide (CID 75528488) is 3-fluoro-4-methyl-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide.
What is the SMILES notation for 3-fluoro-4-methyl-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide?
The canonical SMILES for 3-fluoro-4-methyl-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide is Cc1ccc(C(=O)NC2CCN(c3cc(-c4ccccc4)[nH]n3)CC2)cc1F.
What is the InChIKey of 3-fluoro-4-methyl-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide?
The InChIKey is NGTYZAZLRWKTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O/c1-15-7-8-17(13-19(15)23)22(28)24-18-9-11-27(12-10-18)21-14-20(25-26-21)16-5-3-2-4-6-16/h2-8,13-14,18H,9-12H2,1H3,(H,24,28)(H,25,26).
What are the key properties of 3-fluoro-4-methyl-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide?
3-fluoro-4-methyl-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide has a molecular weight of 378.45 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide is sourced from PubChem (CID 75528488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).