5-benzyl-N-[4-fluoro-3-[1-[(2S)-1-hydroxypropan-2-yl]triazol-4-yl]phenyl]-1-methylpyrazole-4-carboxamide

C23H23FN6O2 — CID 167870588

IUPAC5-benzyl-N-[4-fluoro-3-[1-[(2S)-1-hydroxypropan-2-yl]triazol-4-yl]phenyl]-1-methylpyrazole-4-carboxamide
SMILESC[C@@H](CO)n1cc(-c2cc(NC(=O)c3cnn(C)c3Cc3ccccc3)ccc2F)nn1
InChIInChI=1S/C23H23FN6O2/c1-15(14-31)30-13-21(27-28-30)18-11-17(8-9-20(18)24)26-23(32)19-12-25-29(2)22(19)10-16-6-4-3-5-7-16/h3-9,11-13,15,31H,10,14H2,1-2H3,(H,26,32)/t15-/m0/s1
InChIKeyNXTGNYHDVKWEQN-HNNXBMFYSA-N
MW434.48 g/mol
LogP3.21
Rot. Bonds7

About 5-benzyl-N-[4-fluoro-3-[1-[(2S)-1-hydroxypropan-2-yl]triazol-4-yl]phenyl]-1-methylpyrazole-4-carboxamide

5-benzyl-N-[4-fluoro-3-[1-[(2S)-1-hydroxypropan-2-yl]triazol-4-yl]phenyl]-1-methylpyrazole-4-carboxamide (PubChem CID 167870588) has the molecular formula C23H23FN6O2 and a molecular weight of 434.48 g/mol. Its IUPAC name is 5-benzyl-N-[4-fluoro-3-[1-[(2S)-1-hydroxypropan-2-yl]triazol-4-yl]phenyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-benzyl-N-[4-fluoro-3-[1-[(2S)-1-hydroxypropan-2-yl]triazol-4-yl]phenyl]-1-methylpyrazole-4-carboxamide
PubChem CID167870588
Molecular FormulaC23H23FN6O2
Molecular Weight434.48 g/mol
Exact Mass434.19
IUPAC Name5-benzyl-N-[4-fluoro-3-[1-[(2S)-1-hydroxypropan-2-yl]triazol-4-yl]phenyl]-1-methylpyrazole-4-carboxamide
SMILESC[C@@H](CO)n1cc(-c2cc(NC(=O)c3cnn(C)c3Cc3ccccc3)ccc2F)nn1
InChIInChI=1S/C23H23FN6O2/c1-15(14-31)30-13-21(27-28-30)18-11-17(8-9-20(18)24)26-23(32)19-12-25-29(2)22(19)10-16-6-4-3-5-7-16/h3-9,11-13,15,31H,10,14H2,1-2H3,(H,26,32)/t15-/m0/s1
InChIKeyNXTGNYHDVKWEQN-HNNXBMFYSA-N
XLogP3.21
TPSA97.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.48
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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5-benzyl-1-methyl-N-[1-[3-(2H-tetrazol-5-yl)phenyl]ethyl]pyrazole-4-carboxamide
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5-benzyl-N-(1-hydroxy-3-pyridin-3-ylpropan-2-yl)-1-methylpyrazole-4-carboxamide
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5-benzyl-N-[(2S)-1-[4-(1-hydroxycyclohexyl)triazol-1-yl]propan-2-yl]-1-methylpyrazole-4-carboxamide
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N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-1,5-dimethylpyrazole-4-carboxamide
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5-benzyl-1-methyl-N-(5-methyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrazole-4-carboxamide
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5-[(4-chlorophenyl)methyl]-1-methylpyrazole-4-carboxylic acid
CID 14747589
N-[(1R)-3-amino-1-(2-chlorophenyl)-3-oxopropyl]-5-benzyl-1-methylpyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-N-[4-fluoro-3-[1-[(2S)-1-hydroxypropan-2-yl]triazol-4-yl]phenyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of 5-benzyl-N-[4-fluoro-3-[1-[(2S)-1-hydroxypropan-2-yl]triazol-4-yl]phenyl]-1-methylpyrazole-4-carboxamide (CID 167870588) is 5-benzyl-N-[4-fluoro-3-[1-[(2S)-1-hydroxypropan-2-yl]triazol-4-yl]phenyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-benzyl-N-[4-fluoro-3-[1-[(2S)-1-hydroxypropan-2-yl]triazol-4-yl]phenyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-benzyl-N-[4-fluoro-3-[1-[(2S)-1-hydroxypropan-2-yl]triazol-4-yl]phenyl]-1-methylpyrazole-4-carboxamide is C[C@@H](CO)n1cc(-c2cc(NC(=O)c3cnn(C)c3Cc3ccccc3)ccc2F)nn1.
What is the InChIKey of 5-benzyl-N-[4-fluoro-3-[1-[(2S)-1-hydroxypropan-2-yl]triazol-4-yl]phenyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is NXTGNYHDVKWEQN-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H23FN6O2/c1-15(14-31)30-13-21(27-28-30)18-11-17(8-9-20(18)24)26-23(32)19-12-25-29(2)22(19)10-16-6-4-3-5-7-16/h3-9,11-13,15,31H,10,14H2,1-2H3,(H,26,32)/t15-/m0/s1.
What are the key properties of 5-benzyl-N-[4-fluoro-3-[1-[(2S)-1-hydroxypropan-2-yl]triazol-4-yl]phenyl]-1-methylpyrazole-4-carboxamide?
5-benzyl-N-[4-fluoro-3-[1-[(2S)-1-hydroxypropan-2-yl]triazol-4-yl]phenyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 434.48 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-N-[4-fluoro-3-[1-[(2S)-1-hydroxypropan-2-yl]triazol-4-yl]phenyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 167870588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).