(3-anilino-5-methyl-1H-pyrazol-4-yl)-phenylmethanone

C17H15N3O — CID 42600706

IUPAC(3-anilino-5-methyl-1H-pyrazol-4-yl)-phenylmethanone
SMILESCc1[nH]nc(Nc2ccccc2)c1C(=O)c1ccccc1
InChIInChI=1S/C17H15N3O/c1-12-15(16(21)13-8-4-2-5-9-13)17(20-19-12)18-14-10-6-3-7-11-14/h2-11H,1H3,(H2,18,19,20)
InChIKeyFHAUBTUBPDGBNN-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.69
Rot. Bonds4

About (3-anilino-5-methyl-1H-pyrazol-4-yl)-phenylmethanone

(3-anilino-5-methyl-1H-pyrazol-4-yl)-phenylmethanone (PubChem CID 42600706) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is (3-anilino-5-methyl-1H-pyrazol-4-yl)-phenylmethanone.

Molecular Properties

Compound Name(3-anilino-5-methyl-1H-pyrazol-4-yl)-phenylmethanone
PubChem CID42600706
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name(3-anilino-5-methyl-1H-pyrazol-4-yl)-phenylmethanone
SMILESCc1[nH]nc(Nc2ccccc2)c1C(=O)c1ccccc1
InChIInChI=1S/C17H15N3O/c1-12-15(16(21)13-8-4-2-5-9-13)17(20-19-12)18-14-10-6-3-7-11-14/h2-11H,1H3,(H2,18,19,20)
InChIKeyFHAUBTUBPDGBNN-UHFFFAOYSA-N
XLogP3.69
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-anilino-5-methyl-1H-pyrazol-4-yl)-phenylmethanone?
The IUPAC name of (3-anilino-5-methyl-1H-pyrazol-4-yl)-phenylmethanone (CID 42600706) is (3-anilino-5-methyl-1H-pyrazol-4-yl)-phenylmethanone.
What is the SMILES notation for (3-anilino-5-methyl-1H-pyrazol-4-yl)-phenylmethanone?
The canonical SMILES for (3-anilino-5-methyl-1H-pyrazol-4-yl)-phenylmethanone is Cc1[nH]nc(Nc2ccccc2)c1C(=O)c1ccccc1.
What is the InChIKey of (3-anilino-5-methyl-1H-pyrazol-4-yl)-phenylmethanone?
The InChIKey is FHAUBTUBPDGBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-12-15(16(21)13-8-4-2-5-9-13)17(20-19-12)18-14-10-6-3-7-11-14/h2-11H,1H3,(H2,18,19,20).
What are the key properties of (3-anilino-5-methyl-1H-pyrazol-4-yl)-phenylmethanone?
(3-anilino-5-methyl-1H-pyrazol-4-yl)-phenylmethanone has a molecular weight of 277.33 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-anilino-5-methyl-1H-pyrazol-4-yl)-phenylmethanone is sourced from PubChem (CID 42600706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).