(5-anilino-3-methylpyrazol-1-yl)-(4-methoxyphenyl)methanone

C18H17N3O2 — CID 867969

IUPAC(5-anilino-3-methylpyrazol-1-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)n2nc(C)cc2Nc2ccccc2)cc1
InChIInChI=1S/C18H17N3O2/c1-13-12-17(19-15-6-4-3-5-7-15)21(20-13)18(22)14-8-10-16(23-2)11-9-14/h3-12,19H,1-2H3
InChIKeyLLIDJFAPQTUFDW-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.63
Rot. Bonds4

About (5-anilino-3-methylpyrazol-1-yl)-(4-methoxyphenyl)methanone

(5-anilino-3-methylpyrazol-1-yl)-(4-methoxyphenyl)methanone (PubChem CID 867969) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is (5-anilino-3-methylpyrazol-1-yl)-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(5-anilino-3-methylpyrazol-1-yl)-(4-methoxyphenyl)methanone
PubChem CID867969
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name(5-anilino-3-methylpyrazol-1-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)n2nc(C)cc2Nc2ccccc2)cc1
InChIInChI=1S/C18H17N3O2/c1-13-12-17(19-15-6-4-3-5-7-15)21(20-13)18(22)14-8-10-16(23-2)11-9-14/h3-12,19H,1-2H3
InChIKeyLLIDJFAPQTUFDW-UHFFFAOYSA-N
XLogP3.63
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-anilino-3-methylpyrazol-1-yl)-(4-methoxyphenyl)methanone?
The IUPAC name of (5-anilino-3-methylpyrazol-1-yl)-(4-methoxyphenyl)methanone (CID 867969) is (5-anilino-3-methylpyrazol-1-yl)-(4-methoxyphenyl)methanone.
What is the SMILES notation for (5-anilino-3-methylpyrazol-1-yl)-(4-methoxyphenyl)methanone?
The canonical SMILES for (5-anilino-3-methylpyrazol-1-yl)-(4-methoxyphenyl)methanone is COc1ccc(C(=O)n2nc(C)cc2Nc2ccccc2)cc1.
What is the InChIKey of (5-anilino-3-methylpyrazol-1-yl)-(4-methoxyphenyl)methanone?
The InChIKey is LLIDJFAPQTUFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-13-12-17(19-15-6-4-3-5-7-15)21(20-13)18(22)14-8-10-16(23-2)11-9-14/h3-12,19H,1-2H3.
What are the key properties of (5-anilino-3-methylpyrazol-1-yl)-(4-methoxyphenyl)methanone?
(5-anilino-3-methylpyrazol-1-yl)-(4-methoxyphenyl)methanone has a molecular weight of 307.35 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-anilino-3-methylpyrazol-1-yl)-(4-methoxyphenyl)methanone is sourced from PubChem (CID 867969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).