5-(3-fluorophenyl)-N-methyl-N-(quinolin-5-ylmethyl)-1H-pyrazole-4-carboxamide

C21H17FN4O — CID 56905197

IUPAC5-(3-fluorophenyl)-N-methyl-N-(quinolin-5-ylmethyl)-1H-pyrazole-4-carboxamide
SMILESCN(Cc1cccc2ncccc12)C(=O)c1cn[nH]c1-c1cccc(F)c1
InChIInChI=1S/C21H17FN4O/c1-26(13-15-6-3-9-19-17(15)8-4-10-23-19)21(27)18-12-24-25-20(18)14-5-2-7-16(22)11-14/h2-12H,13H2,1H3,(H,24,25)
InChIKeyUTWPPSKQLIVVFB-UHFFFAOYSA-N
MW360.39 g/mol
LogP4.04
Rot. Bonds4

About 5-(3-fluorophenyl)-N-methyl-N-(quinolin-5-ylmethyl)-1H-pyrazole-4-carboxamide

5-(3-fluorophenyl)-N-methyl-N-(quinolin-5-ylmethyl)-1H-pyrazole-4-carboxamide (PubChem CID 56905197) has the molecular formula C21H17FN4O and a molecular weight of 360.39 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-N-methyl-N-(quinolin-5-ylmethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(3-fluorophenyl)-N-methyl-N-(quinolin-5-ylmethyl)-1H-pyrazole-4-carboxamide
PubChem CID56905197
Molecular FormulaC21H17FN4O
Molecular Weight360.39 g/mol
Exact Mass360.14
IUPAC Name5-(3-fluorophenyl)-N-methyl-N-(quinolin-5-ylmethyl)-1H-pyrazole-4-carboxamide
SMILESCN(Cc1cccc2ncccc12)C(=O)c1cn[nH]c1-c1cccc(F)c1
InChIInChI=1S/C21H17FN4O/c1-26(13-15-6-3-9-19-17(15)8-4-10-23-19)21(27)18-12-24-25-20(18)14-5-2-7-16(22)11-14/h2-12H,13H2,1H3,(H,24,25)
InChIKeyUTWPPSKQLIVVFB-UHFFFAOYSA-N
XLogP4.04
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-oxo-6-phenyl-N-(quinolin-5-ylmethyl)-1H-pyridine-3-carboxamide
CID 56908393
1-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]ethanone
CID 105455963
5-(4-fluorophenyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrazole-4-carboxamide
CID 24661008
1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N,5-dimethyl-N-(quinolin-5-ylmethyl)pyrazole-4-carboxamide
CID 26354146
(2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-N-(quinolin-5-ylmethyl)acetamide
CID 97188254
5-(3-fluorophenyl)-N-piperidin-4-yl-N-(pyridin-3-ylmethyl)-1H-pyrazole-4-carboxamide;dihydrochloride
CID 154898433
3-ethoxy-4-(3-fluorophenyl)-N-methyl-N-(1H-pyrazolo[4,3-b]pyridin-7-ylmethyl)benzamide
CID 165385435
4-ethyl-5-(3-fluorophenyl)-1H-pyrazole
CID 143699505
N-cyclopropyl-5-(3-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]-1H-pyrazole-4-carboxamide
CID 70740715
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N,4-dimethylpyridine-3-carboxamide
CID 46982592
6-acetyl-N,7-dimethyl-N-(quinolin-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 46964855
3-(2,5-dimethyl-4-pyridinyl)-1-methyl-1-(quinolin-5-ylmethyl)urea
CID 166362232

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-N-methyl-N-(quinolin-5-ylmethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(3-fluorophenyl)-N-methyl-N-(quinolin-5-ylmethyl)-1H-pyrazole-4-carboxamide (CID 56905197) is 5-(3-fluorophenyl)-N-methyl-N-(quinolin-5-ylmethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(3-fluorophenyl)-N-methyl-N-(quinolin-5-ylmethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(3-fluorophenyl)-N-methyl-N-(quinolin-5-ylmethyl)-1H-pyrazole-4-carboxamide is CN(Cc1cccc2ncccc12)C(=O)c1cn[nH]c1-c1cccc(F)c1.
What is the InChIKey of 5-(3-fluorophenyl)-N-methyl-N-(quinolin-5-ylmethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is UTWPPSKQLIVVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O/c1-26(13-15-6-3-9-19-17(15)8-4-10-23-19)21(27)18-12-24-25-20(18)14-5-2-7-16(22)11-14/h2-12H,13H2,1H3,(H,24,25).
What are the key properties of 5-(3-fluorophenyl)-N-methyl-N-(quinolin-5-ylmethyl)-1H-pyrazole-4-carboxamide?
5-(3-fluorophenyl)-N-methyl-N-(quinolin-5-ylmethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 360.39 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-N-methyl-N-(quinolin-5-ylmethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 56905197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).