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

C17H19N3O3 — CID 120675168

IUPACcis-(1S,3R)-3-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(Cc1cnn(-c2ccccc2)c1)N[C@@H]1CC[C@H](C(=O)O)C1
InChIInChI=1S/C17H19N3O3/c21-16(19-14-7-6-13(9-14)17(22)23)8-12-10-18-20(11-12)15-4-2-1-3-5-15/h1-5,10-11,13-14H,6-9H2,(H,19,21)(H,22,23)/t13-,14+/m0/s1
InChIKeyMSRIQDMEEZHFDQ-UONOGXRCSA-N
MW313.36 g/mol
LogP1.78
Rot. Bonds5

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

cis-(1S,3R)-3-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 120675168) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is cis-(1S,3R)-3-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]cyclopentane-1-carboxylic acid
PubChem CID120675168
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Namecis-(1S,3R)-3-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(Cc1cnn(-c2ccccc2)c1)N[C@@H]1CC[C@H](C(=O)O)C1
InChIInChI=1S/C17H19N3O3/c21-16(19-14-7-6-13(9-14)17(22)23)8-12-10-18-20(11-12)15-4-2-1-3-5-15/h1-5,10-11,13-14H,6-9H2,(H,19,21)(H,22,23)/t13-,14+/m0/s1
InChIKeyMSRIQDMEEZHFDQ-UONOGXRCSA-N
XLogP1.78
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-phenylpyrazol-4-yl)-N-piperidin-3-ylacetamide
CID 119424441
N-[(1S)-1-cyclopropylethyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 52528125
N-[3-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]phenyl]cyclopropanecarboxamide
CID 46666185
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(1-phenylpyrazol-4-yl)acetate
CID 31022979
3-[(2-pyridin-3-ylacetyl)amino]cyclopentane-1-carboxylic acid
CID 66032903
6-methyl-1-[3-(1-phenylpyrazol-4-yl)propanoyl]piperidine-3-carboxylic acid
CID 122114200
2-[(1-phenylpyrazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60790945
N-[(4-ethylcyclohexyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 167772668
3-(cyclopropylamino)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 61259059
2-oxo-3-(1-phenylpyrazol-4-yl)propanoic acid
CID 16787671
N'-acetyl-2-(1-phenylpyrazol-4-yl)acetohydrazide
CID 30905613
N-tert-butyl-2-(1-phenylpyrazol-4-yl)acetamide
CID 47141475

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]cyclopentane-1-carboxylic acid (CID 120675168) is cis-(1S,3R)-3-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]cyclopentane-1-carboxylic acid is O=C(Cc1cnn(-c2ccccc2)c1)N[C@@H]1CC[C@H](C(=O)O)C1.
What is the InChIKey of cis-(1S,3R)-3-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is MSRIQDMEEZHFDQ-UONOGXRCSA-N. The full InChI is InChI=1S/C17H19N3O3/c21-16(19-14-7-6-13(9-14)17(22)23)8-12-10-18-20(11-12)15-4-2-1-3-5-15/h1-5,10-11,13-14H,6-9H2,(H,19,21)(H,22,23)/t13-,14+/m0/s1.
What are the key properties of cis-(1S,3R)-3-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
cis-(1S,3R)-3-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 313.36 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120675168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).