N-(2,5-dimethylpyrazol-3-yl)-2-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide

C17H21FN4O — CID 47069538

IUPACN-(2,5-dimethylpyrazol-3-yl)-2-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCCC2Cc2ccc(F)cc2)n(C)n1
InChIInChI=1S/C17H21FN4O/c1-12-10-16(21(2)20-12)19-17(23)22-9-3-4-15(22)11-13-5-7-14(18)8-6-13/h5-8,10,15H,3-4,9,11H2,1-2H3,(H,19,23)
InChIKeyYHPFCFVKCDDWMM-UHFFFAOYSA-N
MW316.38 g/mol
LogP3.11
Rot. Bonds3

About N-(2,5-dimethylpyrazol-3-yl)-2-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide

N-(2,5-dimethylpyrazol-3-yl)-2-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide (PubChem CID 47069538) has the molecular formula C17H21FN4O and a molecular weight of 316.38 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-2-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-2-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide
PubChem CID47069538
Molecular FormulaC17H21FN4O
Molecular Weight316.38 g/mol
Exact Mass316.17
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-2-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCCC2Cc2ccc(F)cc2)n(C)n1
InChIInChI=1S/C17H21FN4O/c1-12-10-16(21(2)20-12)19-17(23)22-9-3-4-15(22)11-13-5-7-14(18)8-6-13/h5-8,10,15H,3-4,9,11H2,1-2H3,(H,19,23)
InChIKeyYHPFCFVKCDDWMM-UHFFFAOYSA-N
XLogP3.11
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(2,5-dimethylpyrazol-3-yl)-2-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 94451985
2-[(4-fluorophenyl)methyl]-N-phenylpyrrolidine-1-carboxamide
CID 110601869
(2S)-2-[(3-fluorophenyl)methyl]-N-(3-methyl-2-pyridinyl)pyrrolidine-1-carboxamide
CID 94806056
[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-phenylmethanone
CID 110411316
3-[2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]-1H-pyridazin-6-one
CID 110661811
6-[(2R)-2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one
CID 94635684
N-(2,5-dimethylpyrazol-3-yl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 47182216
4-[(2S)-2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]benzamide
CID 94805691
N-(2,5-dimethylpyrazol-3-yl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 60573872
1-[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone
CID 110607807
N-(2-benzyl-5-methylpyrazol-3-yl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 118769035
2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-N-phenylpyrrolidine-1-carboxamide
CID 91479957

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide (CID 47069538) is N-(2,5-dimethylpyrazol-3-yl)-2-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-2-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-2-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide is Cc1cc(NC(=O)N2CCCC2Cc2ccc(F)cc2)n(C)n1.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-2-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is YHPFCFVKCDDWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O/c1-12-10-16(21(2)20-12)19-17(23)22-9-3-4-15(22)11-13-5-7-14(18)8-6-13/h5-8,10,15H,3-4,9,11H2,1-2H3,(H,19,23).
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-2-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide?
N-(2,5-dimethylpyrazol-3-yl)-2-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 316.38 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-2-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 47069538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).