1-[2-[[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride

C17H20ClFN4O3 — CID 119908557

IUPAC1-[2-[[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
SMILESCc1cc(NC(=O)CN2CCCC2C(=O)O)n(-c2ccccc2F)n1.Cl
InChIInChI=1S/C17H19FN4O3.ClH/c1-11-9-15(22(20-11)13-6-3-2-5-12(13)18)19-16(23)10-21-8-4-7-14(21)17(24)25;/h2-3,5-6,9,14H,4,7-8,10H2,1H3,(H,19,23)(H,24,25);1H
InChIKeyGKIXICQJYVBXKU-UHFFFAOYSA-N
MW382.82 g/mol
LogP2.23
Rot. Bonds5

About 1-[2-[[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride

1-[2-[[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride (PubChem CID 119908557) has the molecular formula C17H20ClFN4O3 and a molecular weight of 382.82 g/mol. Its IUPAC name is 1-[2-[[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-[2-[[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
PubChem CID119908557
Molecular FormulaC17H20ClFN4O3
Molecular Weight382.82 g/mol
Exact Mass382.12
IUPAC Name1-[2-[[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
SMILESCc1cc(NC(=O)CN2CCCC2C(=O)O)n(-c2ccccc2F)n1.Cl
InChIInChI=1S/C17H19FN4O3.ClH/c1-11-9-15(22(20-11)13-6-3-2-5-12(13)18)19-16(23)10-21-8-4-7-14(21)17(24)25;/h2-3,5-6,9,14H,4,7-8,10H2,1H3,(H,19,23)(H,24,25);1H
InChIKeyGKIXICQJYVBXKU-UHFFFAOYSA-N
XLogP2.23
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.82
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-[[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride with MolForge

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Related Compounds

1-[2-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119908993
(2S)-1-[2-(2-fluoroanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 119910659
N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-2-(2-methylmorpholin-4-yl)acetamide
CID 60507872
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]acetamide;hydrochloride
CID 120773227
1-[2-(2-fluoroanilino)-2-oxoethyl]azepane-2-carboxylic acid
CID 64563162
1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119909298
N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-2-(3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)acetamide;2,2,2-trifluoroacetic acid
CID 166265470
1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441827
1-[2-(2,6-diethylanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 119908992
2-[4-(2-methylphenyl)piperazin-1-yl]-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide
CID 18196341
1-(2-anilino-2-oxoethyl)piperidine-2-carboxylic acid
CID 43441072
N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 78900416

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride?
The IUPAC name of 1-[2-[[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride (CID 119908557) is 1-[2-[[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-[2-[[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride?
The canonical SMILES for 1-[2-[[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride is Cc1cc(NC(=O)CN2CCCC2C(=O)O)n(-c2ccccc2F)n1.Cl.
What is the InChIKey of 1-[2-[[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride?
The InChIKey is GKIXICQJYVBXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O3.ClH/c1-11-9-15(22(20-11)13-6-3-2-5-12(13)18)19-16(23)10-21-8-4-7-14(21)17(24)25;/h2-3,5-6,9,14H,4,7-8,10H2,1H3,(H,19,23)(H,24,25);1H.
What are the key properties of 1-[2-[[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride?
1-[2-[[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride has a molecular weight of 382.82 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 119908557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).