2-[[1-(2-fluoro-5-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]-3-methoxy-2-methylpropanoic acid

C19H22FN3O4 — CID 122108179

IUPAC2-[[1-(2-fluoro-5-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]-3-methoxy-2-methylpropanoic acid
SMILESCOCC(C)(NC(=O)c1nn(-c2cc(C)ccc2F)c2c1CCC2)C(=O)O
InChIInChI=1S/C19H22FN3O4/c1-11-7-8-13(20)15(9-11)23-14-6-4-5-12(14)16(22-23)17(24)21-19(2,10-27-3)18(25)26/h7-9H,4-6,10H2,1-3H3,(H,21,24)(H,25,26)
InChIKeyVTHBZTCGQNKFLO-UHFFFAOYSA-N
MW375.40 g/mol
LogP2.03
Rot. Bonds6

About 2-[[1-(2-fluoro-5-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]-3-methoxy-2-methylpropanoic acid

2-[[1-(2-fluoro-5-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]-3-methoxy-2-methylpropanoic acid (PubChem CID 122108179) has the molecular formula C19H22FN3O4 and a molecular weight of 375.40 g/mol. Its IUPAC name is 2-[[1-(2-fluoro-5-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]-3-methoxy-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[1-(2-fluoro-5-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]-3-methoxy-2-methylpropanoic acid
PubChem CID122108179
Molecular FormulaC19H22FN3O4
Molecular Weight375.40 g/mol
Exact Mass375.16
IUPAC Name2-[[1-(2-fluoro-5-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]-3-methoxy-2-methylpropanoic acid
SMILESCOCC(C)(NC(=O)c1nn(-c2cc(C)ccc2F)c2c1CCC2)C(=O)O
InChIInChI=1S/C19H22FN3O4/c1-11-7-8-13(20)15(9-11)23-14-6-4-5-12(14)16(22-23)17(24)21-19(2,10-27-3)18(25)26/h7-9H,4-6,10H2,1-3H3,(H,21,24)(H,25,26)
InChIKeyVTHBZTCGQNKFLO-UHFFFAOYSA-N
XLogP2.03
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[1-(2-fluoro-5-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]-3-methoxy-2-methylpropanoic acid with MolForge

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Related Compounds

1-(2-fluoro-5-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid
CID 28974111
5-[[1-(2-fluoro-5-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]pentanoic acid
CID 122107817
methyl 2-[[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]-2-methylpropanoate
CID 39459909
N-(1-amino-2,3-dimethylbutan-2-yl)-1-(2-fluoro-4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 119606756
N-(2-fluoro-5-methylphenyl)-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 39286728
2-[[1-(3-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]-2-methylbutanoic acid
CID 122107395
2-[[1-(2-fluoro-5-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-methylamino]propanoic acid
CID 122107517
2-[[1-(2,3-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]-2-methylpropanoic acid
CID 122107230
1-(2-fluoro-4-methylphenyl)-N-[2-(methylamino)ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
CID 119501486
1-(2-methoxy-5-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid
CID 28974044
1-(2-fluoro-4-methylphenyl)-N-[3-(methylamino)propyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 119431145
4-[1-(2-fluoro-5-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]morpholine-2-carboxylic acid
CID 122107865

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-fluoro-5-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]-3-methoxy-2-methylpropanoic acid?
The IUPAC name of 2-[[1-(2-fluoro-5-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]-3-methoxy-2-methylpropanoic acid (CID 122108179) is 2-[[1-(2-fluoro-5-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]-3-methoxy-2-methylpropanoic acid.
What is the SMILES notation for 2-[[1-(2-fluoro-5-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]-3-methoxy-2-methylpropanoic acid?
The canonical SMILES for 2-[[1-(2-fluoro-5-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]-3-methoxy-2-methylpropanoic acid is COCC(C)(NC(=O)c1nn(-c2cc(C)ccc2F)c2c1CCC2)C(=O)O.
What is the InChIKey of 2-[[1-(2-fluoro-5-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]-3-methoxy-2-methylpropanoic acid?
The InChIKey is VTHBZTCGQNKFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O4/c1-11-7-8-13(20)15(9-11)23-14-6-4-5-12(14)16(22-23)17(24)21-19(2,10-27-3)18(25)26/h7-9H,4-6,10H2,1-3H3,(H,21,24)(H,25,26).
What are the key properties of 2-[[1-(2-fluoro-5-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]-3-methoxy-2-methylpropanoic acid?
2-[[1-(2-fluoro-5-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]-3-methoxy-2-methylpropanoic acid has a molecular weight of 375.40 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-fluoro-5-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]-3-methoxy-2-methylpropanoic acid is sourced from PubChem (CID 122108179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).