2-fluoro-N-[(1R,2R)-2-hydroxycyclopentyl]-4-methyl-5-[(4-pyrazol-1-ylphenyl)methyl]benzamide

C23H24FN3O2 — CID 137404570

IUPAC2-fluoro-N-[(1R,2R)-2-hydroxycyclopentyl]-4-methyl-5-[(4-pyrazol-1-ylphenyl)methyl]benzamide
SMILESCc1cc(F)c(C(=O)N[C@@H]2CCC[C@H]2O)cc1Cc1ccc(-n2cccn2)cc1
InChIInChI=1S/C23H24FN3O2/c1-15-12-20(24)19(23(29)26-21-4-2-5-22(21)28)14-17(15)13-16-6-8-18(9-7-16)27-11-3-10-25-27/h3,6-12,14,21-22,28H,2,4-5,13H2,1H3,(H,26,29)/t21-,22-/m1/s1
InChIKeyXFLYDLWHKOCGQW-FGZHOGPDSA-N
MW393.46 g/mol
LogP3.55
Rot. Bonds5

About 2-fluoro-N-[(1R,2R)-2-hydroxycyclopentyl]-4-methyl-5-[(4-pyrazol-1-ylphenyl)methyl]benzamide

2-fluoro-N-[(1R,2R)-2-hydroxycyclopentyl]-4-methyl-5-[(4-pyrazol-1-ylphenyl)methyl]benzamide (PubChem CID 137404570) has the molecular formula C23H24FN3O2 and a molecular weight of 393.46 g/mol. Its IUPAC name is 2-fluoro-N-[(1R,2R)-2-hydroxycyclopentyl]-4-methyl-5-[(4-pyrazol-1-ylphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[(1R,2R)-2-hydroxycyclopentyl]-4-methyl-5-[(4-pyrazol-1-ylphenyl)methyl]benzamide
PubChem CID137404570
Molecular FormulaC23H24FN3O2
Molecular Weight393.46 g/mol
Exact Mass393.19
IUPAC Name2-fluoro-N-[(1R,2R)-2-hydroxycyclopentyl]-4-methyl-5-[(4-pyrazol-1-ylphenyl)methyl]benzamide
SMILESCc1cc(F)c(C(=O)N[C@@H]2CCC[C@H]2O)cc1Cc1ccc(-n2cccn2)cc1
InChIInChI=1S/C23H24FN3O2/c1-15-12-20(24)19(23(29)26-21-4-2-5-22(21)28)14-17(15)13-16-6-8-18(9-7-16)27-11-3-10-25-27/h3,6-12,14,21-22,28H,2,4-5,13H2,1H3,(H,26,29)/t21-,22-/m1/s1
InChIKeyXFLYDLWHKOCGQW-FGZHOGPDSA-N
XLogP3.55
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-fluoro-N-[(1R,2R)-2-hydroxycyclopentyl]-4-methyl-5-[(4-pyrazol-1-ylphenyl)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-N-(2-hydroxycyclohexyl)-2-methoxy-4-methyl-5-[(4-pyrazol-1-ylphenyl)methyl]benzamide
CID 137404593
4-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-5-methylpyridine-2-carboxamide
CID 129017559
N-[(1S,2S)-2-hydroxycyclohexyl]-2,7-dimethyl-6-[(4-pyrazol-1-ylphenyl)methyl]-3H-benzimidazole-4-carboxamide
CID 155125028
2-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-3,4-dimethyl-5-[(6-pyrazol-1-yl-3-pyridinyl)methyl]benzamide
CID 137404589
5-(difluoromethyl)-N-[(1S,2S)-2-hydroxycyclopentyl]-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide
CID 129017476
N-[(1S,2S)-2-hydroxycyclohexyl]-6-[(4-pyrazol-1-ylphenyl)methyl]-1,3-benzodioxole-4-carboxamide
CID 162482301
N-[(2S)-2-hydroxycyclopentyl]-5-methoxy-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide
CID 129045248
N-[(1S,2S)-2-hydroxycyclohexyl]-6-methoxy-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide
CID 129017522
5-cyclopropyl-N-[(1S,2S)-2-hydroxycyclohexyl]-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide
CID 129017486
N-[(1S,2S)-2-hydroxycyclopentyl]-5-oxo-6-[(4-pyrazol-1-ylphenyl)methyl]-1,6-naphthyridine-8-carboxamide
CID 162772174
N-[(3S,4S)-4-hydroxyoxan-3-yl]-5,6-dimethyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide
CID 129017457
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(4-pyrazol-1-ylphenyl)acetamide
CID 98680919

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(1R,2R)-2-hydroxycyclopentyl]-4-methyl-5-[(4-pyrazol-1-ylphenyl)methyl]benzamide?
The IUPAC name of 2-fluoro-N-[(1R,2R)-2-hydroxycyclopentyl]-4-methyl-5-[(4-pyrazol-1-ylphenyl)methyl]benzamide (CID 137404570) is 2-fluoro-N-[(1R,2R)-2-hydroxycyclopentyl]-4-methyl-5-[(4-pyrazol-1-ylphenyl)methyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[(1R,2R)-2-hydroxycyclopentyl]-4-methyl-5-[(4-pyrazol-1-ylphenyl)methyl]benzamide?
The canonical SMILES for 2-fluoro-N-[(1R,2R)-2-hydroxycyclopentyl]-4-methyl-5-[(4-pyrazol-1-ylphenyl)methyl]benzamide is Cc1cc(F)c(C(=O)N[C@@H]2CCC[C@H]2O)cc1Cc1ccc(-n2cccn2)cc1.
What is the InChIKey of 2-fluoro-N-[(1R,2R)-2-hydroxycyclopentyl]-4-methyl-5-[(4-pyrazol-1-ylphenyl)methyl]benzamide?
The InChIKey is XFLYDLWHKOCGQW-FGZHOGPDSA-N. The full InChI is InChI=1S/C23H24FN3O2/c1-15-12-20(24)19(23(29)26-21-4-2-5-22(21)28)14-17(15)13-16-6-8-18(9-7-16)27-11-3-10-25-27/h3,6-12,14,21-22,28H,2,4-5,13H2,1H3,(H,26,29)/t21-,22-/m1/s1.
What are the key properties of 2-fluoro-N-[(1R,2R)-2-hydroxycyclopentyl]-4-methyl-5-[(4-pyrazol-1-ylphenyl)methyl]benzamide?
2-fluoro-N-[(1R,2R)-2-hydroxycyclopentyl]-4-methyl-5-[(4-pyrazol-1-ylphenyl)methyl]benzamide has a molecular weight of 393.46 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(1R,2R)-2-hydroxycyclopentyl]-4-methyl-5-[(4-pyrazol-1-ylphenyl)methyl]benzamide is sourced from PubChem (CID 137404570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).