3-(2-aminophenyl)-N-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-3-yl]propanamide

C22H24N4O — CID 120612737

IUPAC3-(2-aminophenyl)-N-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-3-yl]propanamide
SMILESNc1ccccc1CCC(=O)Nc1ccnn1C1CCCc2ccccc21
InChIInChI=1S/C22H24N4O/c23-19-10-4-2-7-17(19)12-13-22(27)25-21-14-15-24-26(21)20-11-5-8-16-6-1-3-9-18(16)20/h1-4,6-7,9-10,14-15,20H,5,8,11-13,23H2,(H,25,27)
InChIKeyBPQLFWMRLGPZTO-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.96
Rot. Bonds5

About 3-(2-aminophenyl)-N-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-3-yl]propanamide

3-(2-aminophenyl)-N-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-3-yl]propanamide (PubChem CID 120612737) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-3-yl]propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-3-yl]propanamide
PubChem CID120612737
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name3-(2-aminophenyl)-N-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-3-yl]propanamide
SMILESNc1ccccc1CCC(=O)Nc1ccnn1C1CCCc2ccccc21
InChIInChI=1S/C22H24N4O/c23-19-10-4-2-7-17(19)12-13-22(27)25-21-14-15-24-26(21)20-11-5-8-16-6-1-3-9-18(16)20/h1-4,6-7,9-10,14-15,20H,5,8,11-13,23H2,(H,25,27)
InChIKeyBPQLFWMRLGPZTO-UHFFFAOYSA-N
XLogP3.96
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-3-yl]-2-thiophen-2-ylacetamide
CID 95240052
2-pyrrolidin-2-yl-N-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-3-yl]acetamide
CID 119865826
2-(5-chloro-2-pyridinyl)-N-[2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-3-yl]acetamide
CID 164636807
5-methyl-N-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-3-yl]-2H-triazole-4-carboxamide
CID 167921599
2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-3-yl]acetamide
CID 154834618
3-(2-chlorophenyl)-N-(2-cyclopentylpyrazol-3-yl)propanamide
CID 78807984
3-(methoxymethyl)-N-[2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-3-yl]-1,2-oxazole-4-carboxamide
CID 164635258
2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)pyrazol-3-amine
CID 16788368
3-(2-aminophenyl)-N-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide;hydrochloride
CID 120609184
4-amino-N-[4-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-5-yl]butanamide;hydrochloride
CID 119307223
N-(2-cyclohexylpyrazol-3-yl)-2-(2,3-dihydro-1H-inden-1-yl)acetamide
CID 86955324
N-(2-cyclopentylpyrazol-3-yl)-2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]acetamide
CID 95042358

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-3-yl]propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-3-yl]propanamide (CID 120612737) is 3-(2-aminophenyl)-N-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-3-yl]propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-3-yl]propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-3-yl]propanamide is Nc1ccccc1CCC(=O)Nc1ccnn1C1CCCc2ccccc21.
What is the InChIKey of 3-(2-aminophenyl)-N-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-3-yl]propanamide?
The InChIKey is BPQLFWMRLGPZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c23-19-10-4-2-7-17(19)12-13-22(27)25-21-14-15-24-26(21)20-11-5-8-16-6-1-3-9-18(16)20/h1-4,6-7,9-10,14-15,20H,5,8,11-13,23H2,(H,25,27).
What are the key properties of 3-(2-aminophenyl)-N-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-3-yl]propanamide?
3-(2-aminophenyl)-N-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-3-yl]propanamide has a molecular weight of 360.46 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-3-yl]propanamide is sourced from PubChem (CID 120612737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).