phenyl-(4-phenyl-3-pyridin-4-yl-1H-pyrazol-5-yl)methanone

C21H15N3O — CID 135066255

IUPACphenyl-(4-phenyl-3-pyridin-4-yl-1H-pyrazol-5-yl)methanone
SMILESO=C(c1ccccc1)c1[nH]nc(-c2ccncc2)c1-c1ccccc1
InChIInChI=1S/C21H15N3O/c25-21(17-9-5-2-6-10-17)20-18(15-7-3-1-4-8-15)19(23-24-20)16-11-13-22-14-12-16/h1-14H,(H,23,24)
InChIKeyQXZWZUUNNVNMPU-UHFFFAOYSA-N
MW325.37 g/mol
LogP4.37
Rot. Bonds4

About phenyl-(4-phenyl-3-pyridin-4-yl-1H-pyrazol-5-yl)methanone

phenyl-(4-phenyl-3-pyridin-4-yl-1H-pyrazol-5-yl)methanone (PubChem CID 135066255) has the molecular formula C21H15N3O and a molecular weight of 325.37 g/mol. Its IUPAC name is phenyl-(4-phenyl-3-pyridin-4-yl-1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Namephenyl-(4-phenyl-3-pyridin-4-yl-1H-pyrazol-5-yl)methanone
PubChem CID135066255
Molecular FormulaC21H15N3O
Molecular Weight325.37 g/mol
Exact Mass325.12
IUPAC Namephenyl-(4-phenyl-3-pyridin-4-yl-1H-pyrazol-5-yl)methanone
SMILESO=C(c1ccccc1)c1[nH]nc(-c2ccncc2)c1-c1ccccc1
InChIInChI=1S/C21H15N3O/c25-21(17-9-5-2-6-10-17)20-18(15-7-3-1-4-8-15)19(23-24-20)16-11-13-22-14-12-16/h1-14H,(H,23,24)
InChIKeyQXZWZUUNNVNMPU-UHFFFAOYSA-N
XLogP4.37
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of phenyl-(4-phenyl-3-pyridin-4-yl-1H-pyrazol-5-yl)methanone?
The IUPAC name of phenyl-(4-phenyl-3-pyridin-4-yl-1H-pyrazol-5-yl)methanone (CID 135066255) is phenyl-(4-phenyl-3-pyridin-4-yl-1H-pyrazol-5-yl)methanone.
What is the SMILES notation for phenyl-(4-phenyl-3-pyridin-4-yl-1H-pyrazol-5-yl)methanone?
The canonical SMILES for phenyl-(4-phenyl-3-pyridin-4-yl-1H-pyrazol-5-yl)methanone is O=C(c1ccccc1)c1[nH]nc(-c2ccncc2)c1-c1ccccc1.
What is the InChIKey of phenyl-(4-phenyl-3-pyridin-4-yl-1H-pyrazol-5-yl)methanone?
The InChIKey is QXZWZUUNNVNMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O/c25-21(17-9-5-2-6-10-17)20-18(15-7-3-1-4-8-15)19(23-24-20)16-11-13-22-14-12-16/h1-14H,(H,23,24).
What are the key properties of phenyl-(4-phenyl-3-pyridin-4-yl-1H-pyrazol-5-yl)methanone?
phenyl-(4-phenyl-3-pyridin-4-yl-1H-pyrazol-5-yl)methanone has a molecular weight of 325.37 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(4-phenyl-3-pyridin-4-yl-1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 135066255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).