(1R,2R,4R,5R)-5-[(2-phenyl-2-pyrazol-1-ylacetyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid

C19H21N3O3 — CID 166275767

IUPAC(1R,2R,4R,5R)-5-[(2-phenyl-2-pyrazol-1-ylacetyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid
SMILESO=C(N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)O)C(c1ccccc1)n1cccn1
InChIInChI=1S/C19H21N3O3/c23-18(21-16-11-13-9-14(16)10-15(13)19(24)25)17(22-8-4-7-20-22)12-5-2-1-3-6-12/h1-8,13-17H,9-11H2,(H,21,23)(H,24,25)/t13-,14-,15-,16-,17?/m1/s1
InChIKeyQWOKJLQJFRJWKJ-RZJWPAKQSA-N
MW339.39 g/mol
LogP2.09
Rot. Bonds5

About (1R,2R,4R,5R)-5-[(2-phenyl-2-pyrazol-1-ylacetyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid

(1R,2R,4R,5R)-5-[(2-phenyl-2-pyrazol-1-ylacetyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 166275767) has the molecular formula C19H21N3O3 and a molecular weight of 339.39 g/mol. Its IUPAC name is (1R,2R,4R,5R)-5-[(2-phenyl-2-pyrazol-1-ylacetyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name(1R,2R,4R,5R)-5-[(2-phenyl-2-pyrazol-1-ylacetyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID166275767
Molecular FormulaC19H21N3O3
Molecular Weight339.39 g/mol
Exact Mass339.16
IUPAC Name(1R,2R,4R,5R)-5-[(2-phenyl-2-pyrazol-1-ylacetyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid
SMILESO=C(N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)O)C(c1ccccc1)n1cccn1
InChIInChI=1S/C19H21N3O3/c23-18(21-16-11-13-9-14(16)10-15(13)19(24)25)17(22-8-4-7-20-22)12-5-2-1-3-6-12/h1-8,13-17H,9-11H2,(H,21,23)(H,24,25)/t13-,14-,15-,16-,17?/m1/s1
InChIKeyQWOKJLQJFRJWKJ-RZJWPAKQSA-N
XLogP2.09
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1R,2R,4R,5R)-5-[(2-phenyl-2-pyrazol-1-ylacetyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,4R,5R)-5-[(2-phenyl-2-pyrazol-1-ylacetyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid?
The IUPAC name of (1R,2R,4R,5R)-5-[(2-phenyl-2-pyrazol-1-ylacetyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid (CID 166275767) is (1R,2R,4R,5R)-5-[(2-phenyl-2-pyrazol-1-ylacetyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid.
What is the SMILES notation for (1R,2R,4R,5R)-5-[(2-phenyl-2-pyrazol-1-ylacetyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid?
The canonical SMILES for (1R,2R,4R,5R)-5-[(2-phenyl-2-pyrazol-1-ylacetyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid is O=C(N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)O)C(c1ccccc1)n1cccn1.
What is the InChIKey of (1R,2R,4R,5R)-5-[(2-phenyl-2-pyrazol-1-ylacetyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid?
The InChIKey is QWOKJLQJFRJWKJ-RZJWPAKQSA-N. The full InChI is InChI=1S/C19H21N3O3/c23-18(21-16-11-13-9-14(16)10-15(13)19(24)25)17(22-8-4-7-20-22)12-5-2-1-3-6-12/h1-8,13-17H,9-11H2,(H,21,23)(H,24,25)/t13-,14-,15-,16-,17?/m1/s1.
What are the key properties of (1R,2R,4R,5R)-5-[(2-phenyl-2-pyrazol-1-ylacetyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid?
(1R,2R,4R,5R)-5-[(2-phenyl-2-pyrazol-1-ylacetyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid has a molecular weight of 339.39 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4R,5R)-5-[(2-phenyl-2-pyrazol-1-ylacetyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 166275767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).