1-[2-methoxy-5-[N-(1H-pyrazol-5-yl)anilino]phenyl]ethanone

C18H17N3O2 — CID 70361941

IUPAC1-[2-methoxy-5-[N-(1H-pyrazol-5-yl)anilino]phenyl]ethanone
SMILESCOc1ccc(N(c2ccccc2)c2ccn[nH]2)cc1C(C)=O
InChIInChI=1S/C18H17N3O2/c1-13(22)16-12-15(8-9-17(16)23-2)21(18-10-11-19-20-18)14-6-4-3-5-7-14/h3-12H,1-2H3,(H,19,20)
InChIKeyZETTWXSVJWVROU-UHFFFAOYSA-N
MW307.35 g/mol
LogP4.09
Rot. Bonds5

About 1-[2-methoxy-5-[N-(1H-pyrazol-5-yl)anilino]phenyl]ethanone

1-[2-methoxy-5-[N-(1H-pyrazol-5-yl)anilino]phenyl]ethanone (PubChem CID 70361941) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 1-[2-methoxy-5-[N-(1H-pyrazol-5-yl)anilino]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-methoxy-5-[N-(1H-pyrazol-5-yl)anilino]phenyl]ethanone
PubChem CID70361941
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name1-[2-methoxy-5-[N-(1H-pyrazol-5-yl)anilino]phenyl]ethanone
SMILESCOc1ccc(N(c2ccccc2)c2ccn[nH]2)cc1C(C)=O
InChIInChI=1S/C18H17N3O2/c1-13(22)16-12-15(8-9-17(16)23-2)21(18-10-11-19-20-18)14-6-4-3-5-7-14/h3-12H,1-2H3,(H,19,20)
InChIKeyZETTWXSVJWVROU-UHFFFAOYSA-N
XLogP4.09
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxy-5-[N-(1H-pyrazol-5-yl)anilino]phenyl]ethanone?
The IUPAC name of 1-[2-methoxy-5-[N-(1H-pyrazol-5-yl)anilino]phenyl]ethanone (CID 70361941) is 1-[2-methoxy-5-[N-(1H-pyrazol-5-yl)anilino]phenyl]ethanone.
What is the SMILES notation for 1-[2-methoxy-5-[N-(1H-pyrazol-5-yl)anilino]phenyl]ethanone?
The canonical SMILES for 1-[2-methoxy-5-[N-(1H-pyrazol-5-yl)anilino]phenyl]ethanone is COc1ccc(N(c2ccccc2)c2ccn[nH]2)cc1C(C)=O.
What is the InChIKey of 1-[2-methoxy-5-[N-(1H-pyrazol-5-yl)anilino]phenyl]ethanone?
The InChIKey is ZETTWXSVJWVROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-13(22)16-12-15(8-9-17(16)23-2)21(18-10-11-19-20-18)14-6-4-3-5-7-14/h3-12H,1-2H3,(H,19,20).
What are the key properties of 1-[2-methoxy-5-[N-(1H-pyrazol-5-yl)anilino]phenyl]ethanone?
1-[2-methoxy-5-[N-(1H-pyrazol-5-yl)anilino]phenyl]ethanone has a molecular weight of 307.35 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxy-5-[N-(1H-pyrazol-5-yl)anilino]phenyl]ethanone is sourced from PubChem (CID 70361941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).