2-[cyclopropyl-[1-(2,3-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]propanoic acid

C19H19F2N3O3 — CID 122107432

IUPAC2-[cyclopropyl-[1-(2,3-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]propanoic acid
SMILESCC(C(=O)O)N(C(=O)c1nn(-c2cccc(F)c2F)c2c1CCC2)C1CC1
InChIInChI=1S/C19H19F2N3O3/c1-10(19(26)27)23(11-8-9-11)18(25)17-12-4-2-6-14(12)24(22-17)15-7-3-5-13(20)16(15)21/h3,5,7,10-11H,2,4,6,8-9H2,1H3,(H,26,27)
InChIKeyCGESUOCVBBEQKT-UHFFFAOYSA-N
MW375.38 g/mol
LogP2.72
Rot. Bonds5

About 2-[cyclopropyl-[1-(2,3-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]propanoic acid

2-[cyclopropyl-[1-(2,3-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]propanoic acid (PubChem CID 122107432) has the molecular formula C19H19F2N3O3 and a molecular weight of 375.38 g/mol. Its IUPAC name is 2-[cyclopropyl-[1-(2,3-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[1-(2,3-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]propanoic acid
PubChem CID122107432
Molecular FormulaC19H19F2N3O3
Molecular Weight375.38 g/mol
Exact Mass375.14
IUPAC Name2-[cyclopropyl-[1-(2,3-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]propanoic acid
SMILESCC(C(=O)O)N(C(=O)c1nn(-c2cccc(F)c2F)c2c1CCC2)C1CC1
InChIInChI=1S/C19H19F2N3O3/c1-10(19(26)27)23(11-8-9-11)18(25)17-12-4-2-6-14(12)24(22-17)15-7-3-5-13(20)16(15)21/h3,5,7,10-11H,2,4,6,8-9H2,1H3,(H,26,27)
InChIKeyCGESUOCVBBEQKT-UHFFFAOYSA-N
XLogP2.72
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[cyclopropyl-[1-(2,3-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]propanoic acid with MolForge

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Related Compounds

2-[cyclopropyl-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]propanoic acid
CID 119202787
4-[[1-(2,3-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-methylamino]butanoic acid
CID 122107128
2-[[1-(2,3-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]-2-methylpropanoic acid
CID 122107230
2-[[1-(2,3-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]-3-methoxypropanoic acid
CID 122108940
2-[[1-(2,3-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]hexanoic acid
CID 122108526
2-[[1-(2-fluoro-5-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-methylamino]propanoic acid
CID 122107517
1-[[1-(2,3-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]cyclopropane-1-carboxylic acid
CID 122108114
3-[[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-propan-2-ylamino]propanoic acid
CID 119207081
N-[(2S)-2-cyclopropyl-2-hydroxyethyl]-1-(2-fluorophenyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 97052638
1-[1-(2,3-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-3-methylpiperidine-3-carboxylic acid
CID 122109451
1-(2-fluorophenyl)-N-methyl-N-pyrrolidin-3-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 119550102
1-(2,3-difluorophenyl)-5-methyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 61296065

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[1-(2,3-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]propanoic acid?
The IUPAC name of 2-[cyclopropyl-[1-(2,3-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]propanoic acid (CID 122107432) is 2-[cyclopropyl-[1-(2,3-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]propanoic acid.
What is the SMILES notation for 2-[cyclopropyl-[1-(2,3-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]propanoic acid?
The canonical SMILES for 2-[cyclopropyl-[1-(2,3-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]propanoic acid is CC(C(=O)O)N(C(=O)c1nn(-c2cccc(F)c2F)c2c1CCC2)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[1-(2,3-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]propanoic acid?
The InChIKey is CGESUOCVBBEQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O3/c1-10(19(26)27)23(11-8-9-11)18(25)17-12-4-2-6-14(12)24(22-17)15-7-3-5-13(20)16(15)21/h3,5,7,10-11H,2,4,6,8-9H2,1H3,(H,26,27).
What are the key properties of 2-[cyclopropyl-[1-(2,3-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]propanoic acid?
2-[cyclopropyl-[1-(2,3-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]propanoic acid has a molecular weight of 375.38 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[1-(2,3-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]propanoic acid is sourced from PubChem (CID 122107432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).