1-(3-aminonaphthalen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-one

C17H17N3O — CID 103023608

IUPAC1-(3-aminonaphthalen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-one
SMILESCn1nccc1CCC(=O)c1cc2ccccc2cc1N
InChIInChI=1S/C17H17N3O/c1-20-14(8-9-19-20)6-7-17(21)15-10-12-4-2-3-5-13(12)11-16(15)18/h2-5,8-11H,6-7,18H2,1H3
InChIKeyNBESMLIXONKPFS-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.97
Rot. Bonds4

About 1-(3-aminonaphthalen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-one

1-(3-aminonaphthalen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-one (PubChem CID 103023608) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-(3-aminonaphthalen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-one.

Molecular Properties

Compound Name1-(3-aminonaphthalen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-one
PubChem CID103023608
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name1-(3-aminonaphthalen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-one
SMILESCn1nccc1CCC(=O)c1cc2ccccc2cc1N
InChIInChI=1S/C17H17N3O/c1-20-14(8-9-19-20)6-7-17(21)15-10-12-4-2-3-5-13(12)11-16(15)18/h2-5,8-11H,6-7,18H2,1H3
InChIKeyNBESMLIXONKPFS-UHFFFAOYSA-N
XLogP2.97
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(5-amino-1-methylpyrazol-4-yl)-3-(2-methylpyrazol-3-yl)propan-1-one
CID 103007545
1-(2,5-dichlorothiophen-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-one
CID 107967875
1-(3-amino-5-bromophenyl)-3-(2-methylpyrazol-3-yl)propan-1-one
CID 103023983
1-(furan-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-one
CID 103007384
1-(3-iodophenyl)-3-(2-methylpyrazol-3-yl)propan-1-one
CID 103024292
3-(2-methylpyrazol-3-yl)-1-pyridin-3-ylpropan-1-one
CID 103007247
1-amino-4-(2-methylpyrazol-3-yl)-1-phenylbutan-2-one
CID 103023503
1-(1,3-dihydro-2-benzofuran-5-yl)-3-(2-methylpyrazol-3-yl)propan-1-one
CID 103024345
1-(1-methylpyrazol-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-one
CID 103007529
2-(2-methylpyrazol-3-yl)ethyl 2-amino-4,5-difluorobenzoate
CID 103013618
3-(2-aminophenyl)-N-[(2-methylpyrazol-3-yl)methyl]propanamide
CID 63303724
3-(2-methylpyrazol-3-yl)-1-(1-phenylpyrazol-3-yl)propan-1-one
CID 103024371

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminonaphthalen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-one?
The IUPAC name of 1-(3-aminonaphthalen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-one (CID 103023608) is 1-(3-aminonaphthalen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-one.
What is the SMILES notation for 1-(3-aminonaphthalen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-one?
The canonical SMILES for 1-(3-aminonaphthalen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-one is Cn1nccc1CCC(=O)c1cc2ccccc2cc1N.
What is the InChIKey of 1-(3-aminonaphthalen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-one?
The InChIKey is NBESMLIXONKPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-20-14(8-9-19-20)6-7-17(21)15-10-12-4-2-3-5-13(12)11-16(15)18/h2-5,8-11H,6-7,18H2,1H3.
What are the key properties of 1-(3-aminonaphthalen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-one?
1-(3-aminonaphthalen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-one has a molecular weight of 279.34 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminonaphthalen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-one is sourced from PubChem (CID 103023608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).