2-(3,5-dimethylpyrazol-1-yl)-N-(2-fluoro-6-pyrrolidin-1-ylphenyl)propanamide

C18H23FN4O — CID 56784776

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N-(2-fluoro-6-pyrrolidin-1-ylphenyl)propanamide
SMILESCc1cc(C)n(C(C)C(=O)Nc2c(F)cccc2N2CCCC2)n1
InChIInChI=1S/C18H23FN4O/c1-12-11-13(2)23(21-12)14(3)18(24)20-17-15(19)7-6-8-16(17)22-9-4-5-10-22/h6-8,11,14H,4-5,9-10H2,1-3H3,(H,20,24)
InChIKeyVZELBDGZGZFASO-UHFFFAOYSA-N
MW330.41 g/mol
LogP3.44
Rot. Bonds4

About 2-(3,5-dimethylpyrazol-1-yl)-N-(2-fluoro-6-pyrrolidin-1-ylphenyl)propanamide

2-(3,5-dimethylpyrazol-1-yl)-N-(2-fluoro-6-pyrrolidin-1-ylphenyl)propanamide (PubChem CID 56784776) has the molecular formula C18H23FN4O and a molecular weight of 330.41 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N-(2-fluoro-6-pyrrolidin-1-ylphenyl)propanamide.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N-(2-fluoro-6-pyrrolidin-1-ylphenyl)propanamide
PubChem CID56784776
Molecular FormulaC18H23FN4O
Molecular Weight330.41 g/mol
Exact Mass330.19
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N-(2-fluoro-6-pyrrolidin-1-ylphenyl)propanamide
SMILESCc1cc(C)n(C(C)C(=O)Nc2c(F)cccc2N2CCCC2)n1
InChIInChI=1S/C18H23FN4O/c1-12-11-13(2)23(21-12)14(3)18(24)20-17-15(19)7-6-8-16(17)22-9-4-5-10-22/h6-8,11,14H,4-5,9-10H2,1-3H3,(H,20,24)
InChIKeyVZELBDGZGZFASO-UHFFFAOYSA-N
XLogP3.44
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-(methylamino)acetamide;dihydrochloride
CID 119872671
(2S)-N-(2,6-difluorophenyl)-2-(3-methyl-6-oxopyridazin-1-yl)propanamide
CID 95118846
2-(3,5-dimethylpyrazol-1-yl)-N-phenylpropanamide
CID 47406603
(2S)-N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-pyridin-3-yloxypropanamide
CID 124566511
N-(2-aminophenyl)-2-(3,5-dimethylpyrazol-1-yl)propanamide;dihydrochloride
CID 119422814
(2R)-N-(2,6-difluorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide
CID 9460053
2-(3,5-dimethylpyrazol-1-yl)-N-hydroxypropanamide
CID 131134395
N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 56580441
N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-methylsulfanylbenzamide
CID 122135045
N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-(trifluoromethylsulfanyl)acetamide
CID 122133653
(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 92627242
(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-(2-methyl-4-pyridinyl)propanamide
CID 95623384

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-(2-fluoro-6-pyrrolidin-1-ylphenyl)propanamide?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-(2-fluoro-6-pyrrolidin-1-ylphenyl)propanamide (CID 56784776) is 2-(3,5-dimethylpyrazol-1-yl)-N-(2-fluoro-6-pyrrolidin-1-ylphenyl)propanamide.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-(2-fluoro-6-pyrrolidin-1-ylphenyl)propanamide?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-(2-fluoro-6-pyrrolidin-1-ylphenyl)propanamide is Cc1cc(C)n(C(C)C(=O)Nc2c(F)cccc2N2CCCC2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-(2-fluoro-6-pyrrolidin-1-ylphenyl)propanamide?
The InChIKey is VZELBDGZGZFASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O/c1-12-11-13(2)23(21-12)14(3)18(24)20-17-15(19)7-6-8-16(17)22-9-4-5-10-22/h6-8,11,14H,4-5,9-10H2,1-3H3,(H,20,24).
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-(2-fluoro-6-pyrrolidin-1-ylphenyl)propanamide?
2-(3,5-dimethylpyrazol-1-yl)-N-(2-fluoro-6-pyrrolidin-1-ylphenyl)propanamide has a molecular weight of 330.41 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-N-(2-fluoro-6-pyrrolidin-1-ylphenyl)propanamide is sourced from PubChem (CID 56784776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).