cis-(1R,3S)-3-[[2-[1-(4-fluorophenyl)pyrazol-3-yl]acetyl]amino]cyclopentane-1-carboxylic acid

C17H18FN3O3 — CID 167806359

IUPACcis-(1R,3S)-3-[[2-[1-(4-fluorophenyl)pyrazol-3-yl]acetyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(Cc1ccn(-c2ccc(F)cc2)n1)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C17H18FN3O3/c18-12-2-5-15(6-3-12)21-8-7-14(20-21)10-16(22)19-13-4-1-11(9-13)17(23)24/h2-3,5-8,11,13H,1,4,9-10H2,(H,19,22)(H,23,24)/t11-,13+/m1/s1
InChIKeyUEUDIAAJKBRVGH-YPMHNXCESA-N
MW331.35 g/mol
LogP1.92
Rot. Bonds5

About cis-(1R,3S)-3-[[2-[1-(4-fluorophenyl)pyrazol-3-yl]acetyl]amino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[[2-[1-(4-fluorophenyl)pyrazol-3-yl]acetyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 167806359) has the molecular formula C17H18FN3O3 and a molecular weight of 331.35 g/mol. Its IUPAC name is cis-(1R,3S)-3-[[2-[1-(4-fluorophenyl)pyrazol-3-yl]acetyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[[2-[1-(4-fluorophenyl)pyrazol-3-yl]acetyl]amino]cyclopentane-1-carboxylic acid
PubChem CID167806359
Molecular FormulaC17H18FN3O3
Molecular Weight331.35 g/mol
Exact Mass331.13
IUPAC Namecis-(1R,3S)-3-[[2-[1-(4-fluorophenyl)pyrazol-3-yl]acetyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(Cc1ccn(-c2ccc(F)cc2)n1)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C17H18FN3O3/c18-12-2-5-15(6-3-12)21-8-7-14(20-21)10-16(22)19-13-4-1-11(9-13)17(23)24/h2-3,5-8,11,13H,1,4,9-10H2,(H,19,22)(H,23,24)/t11-,13+/m1/s1
InChIKeyUEUDIAAJKBRVGH-YPMHNXCESA-N
XLogP1.92
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(4-fluorophenyl)pyrazol-3-yl]-N-(1-methylpiperidin-3-yl)acetamide
CID 71998650
trans-(1S,3S)-3-[3-(4-fluorophenyl)propanoylamino]cyclopentane-1-carboxylic acid
CID 97318343
N-(4,5-dicyano-1H-imidazol-2-yl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide
CID 71870126
cis-(1S,3R)-3-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120675168
N-(2-ethylpyrimidin-5-yl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide
CID 166231051
3-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]cyclopentane-1-carboxylic acid
CID 66032317
2-[1-(4-fluorophenyl)pyrazol-3-yl]-N-[(2-hydroxycyclopentyl)methyl]-N-methylacetamide
CID 109400116
(2S,5R)-N-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-5-methyloxolane-2-carboxamide
CID 97330409
cis-(1S,3R)-3-[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 120675846
N-[(4,4-difluoro-2-methylpyrrolidin-2-yl)methyl]-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide
CID 166286555
N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide
CID 166287093
N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]piperidine-4-carboxamide
CID 119336460

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[[2-[1-(4-fluorophenyl)pyrazol-3-yl]acetyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[[2-[1-(4-fluorophenyl)pyrazol-3-yl]acetyl]amino]cyclopentane-1-carboxylic acid (CID 167806359) is cis-(1R,3S)-3-[[2-[1-(4-fluorophenyl)pyrazol-3-yl]acetyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[[2-[1-(4-fluorophenyl)pyrazol-3-yl]acetyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[[2-[1-(4-fluorophenyl)pyrazol-3-yl]acetyl]amino]cyclopentane-1-carboxylic acid is O=C(Cc1ccn(-c2ccc(F)cc2)n1)N[C@H]1CC[C@@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,3S)-3-[[2-[1-(4-fluorophenyl)pyrazol-3-yl]acetyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is UEUDIAAJKBRVGH-YPMHNXCESA-N. The full InChI is InChI=1S/C17H18FN3O3/c18-12-2-5-15(6-3-12)21-8-7-14(20-21)10-16(22)19-13-4-1-11(9-13)17(23)24/h2-3,5-8,11,13H,1,4,9-10H2,(H,19,22)(H,23,24)/t11-,13+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[[2-[1-(4-fluorophenyl)pyrazol-3-yl]acetyl]amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[[2-[1-(4-fluorophenyl)pyrazol-3-yl]acetyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 331.35 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[[2-[1-(4-fluorophenyl)pyrazol-3-yl]acetyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 167806359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).