3-[(5-cyclopropyl-1-phenylpyrazole-4-carbonyl)amino]bicyclo[1.1.1]pentane-1-carboxylic acid

C19H19N3O3 — CID 166271063

IUPAC3-[(5-cyclopropyl-1-phenylpyrazole-4-carbonyl)amino]bicyclo[1.1.1]pentane-1-carboxylic acid
SMILESO=C(NC12CC(C(=O)O)(C1)C2)c1cnn(-c2ccccc2)c1C1CC1
InChIInChI=1S/C19H19N3O3/c23-16(21-19-9-18(10-19,11-19)17(24)25)14-8-20-22(15(14)12-6-7-12)13-4-2-1-3-5-13/h1-5,8,12H,6-7,9-11H2,(H,21,23)(H,24,25)
InChIKeyGDVKAUUBJSYCPY-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.49
Rot. Bonds5

About 3-[(5-cyclopropyl-1-phenylpyrazole-4-carbonyl)amino]bicyclo[1.1.1]pentane-1-carboxylic acid

3-[(5-cyclopropyl-1-phenylpyrazole-4-carbonyl)amino]bicyclo[1.1.1]pentane-1-carboxylic acid (PubChem CID 166271063) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 3-[(5-cyclopropyl-1-phenylpyrazole-4-carbonyl)amino]bicyclo[1.1.1]pentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(5-cyclopropyl-1-phenylpyrazole-4-carbonyl)amino]bicyclo[1.1.1]pentane-1-carboxylic acid
PubChem CID166271063
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name3-[(5-cyclopropyl-1-phenylpyrazole-4-carbonyl)amino]bicyclo[1.1.1]pentane-1-carboxylic acid
SMILESO=C(NC12CC(C(=O)O)(C1)C2)c1cnn(-c2ccccc2)c1C1CC1
InChIInChI=1S/C19H19N3O3/c23-16(21-19-9-18(10-19,11-19)17(24)25)14-8-20-22(15(14)12-6-7-12)13-4-2-1-3-5-13/h1-5,8,12H,6-7,9-11H2,(H,21,23)(H,24,25)
InChIKeyGDVKAUUBJSYCPY-UHFFFAOYSA-N
XLogP2.49
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-cyclopropyl-1-phenylpyrazole-4-carbonyl)amino]bicyclo[1.1.1]pentane-1-carboxylic acid?
The IUPAC name of 3-[(5-cyclopropyl-1-phenylpyrazole-4-carbonyl)amino]bicyclo[1.1.1]pentane-1-carboxylic acid (CID 166271063) is 3-[(5-cyclopropyl-1-phenylpyrazole-4-carbonyl)amino]bicyclo[1.1.1]pentane-1-carboxylic acid.
What is the SMILES notation for 3-[(5-cyclopropyl-1-phenylpyrazole-4-carbonyl)amino]bicyclo[1.1.1]pentane-1-carboxylic acid?
The canonical SMILES for 3-[(5-cyclopropyl-1-phenylpyrazole-4-carbonyl)amino]bicyclo[1.1.1]pentane-1-carboxylic acid is O=C(NC12CC(C(=O)O)(C1)C2)c1cnn(-c2ccccc2)c1C1CC1.
What is the InChIKey of 3-[(5-cyclopropyl-1-phenylpyrazole-4-carbonyl)amino]bicyclo[1.1.1]pentane-1-carboxylic acid?
The InChIKey is GDVKAUUBJSYCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c23-16(21-19-9-18(10-19,11-19)17(24)25)14-8-20-22(15(14)12-6-7-12)13-4-2-1-3-5-13/h1-5,8,12H,6-7,9-11H2,(H,21,23)(H,24,25).
What are the key properties of 3-[(5-cyclopropyl-1-phenylpyrazole-4-carbonyl)amino]bicyclo[1.1.1]pentane-1-carboxylic acid?
3-[(5-cyclopropyl-1-phenylpyrazole-4-carbonyl)amino]bicyclo[1.1.1]pentane-1-carboxylic acid has a molecular weight of 337.38 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-cyclopropyl-1-phenylpyrazole-4-carbonyl)amino]bicyclo[1.1.1]pentane-1-carboxylic acid is sourced from PubChem (CID 166271063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).