[3-amino-5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-(3-pyridin-4-ylphenyl)methanone

C21H14F2N4O — CID 70103075

IUPAC[3-amino-5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-(3-pyridin-4-ylphenyl)methanone
SMILESNc1n[nH]c(-c2ccc(F)cc2F)c1C(=O)c1cccc(-c2ccncc2)c1
InChIInChI=1S/C21H14F2N4O/c22-15-4-5-16(17(23)11-15)19-18(21(24)27-26-19)20(28)14-3-1-2-13(10-14)12-6-8-25-9-7-12/h1-11H,(H3,24,26,27)
InChIKeyLLQBUUCTYDBBPT-UHFFFAOYSA-N
MW376.37 g/mol
LogP4.23
Rot. Bonds4

About [3-amino-5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-(3-pyridin-4-ylphenyl)methanone

[3-amino-5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-(3-pyridin-4-ylphenyl)methanone (PubChem CID 70103075) has the molecular formula C21H14F2N4O and a molecular weight of 376.37 g/mol. Its IUPAC name is [3-amino-5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-(3-pyridin-4-ylphenyl)methanone.

Molecular Properties

Compound Name[3-amino-5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-(3-pyridin-4-ylphenyl)methanone
PubChem CID70103075
Molecular FormulaC21H14F2N4O
Molecular Weight376.37 g/mol
Exact Mass376.11
IUPAC Name[3-amino-5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-(3-pyridin-4-ylphenyl)methanone
SMILESNc1n[nH]c(-c2ccc(F)cc2F)c1C(=O)c1cccc(-c2ccncc2)c1
InChIInChI=1S/C21H14F2N4O/c22-15-4-5-16(17(23)11-15)19-18(21(24)27-26-19)20(28)14-3-1-2-13(10-14)12-6-8-25-9-7-12/h1-11H,(H3,24,26,27)
InChIKeyLLQBUUCTYDBBPT-UHFFFAOYSA-N
XLogP4.23
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-amino-5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-(3-pyridin-4-ylphenyl)methanone?
The IUPAC name of [3-amino-5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-(3-pyridin-4-ylphenyl)methanone (CID 70103075) is [3-amino-5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-(3-pyridin-4-ylphenyl)methanone.
What is the SMILES notation for [3-amino-5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-(3-pyridin-4-ylphenyl)methanone?
The canonical SMILES for [3-amino-5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-(3-pyridin-4-ylphenyl)methanone is Nc1n[nH]c(-c2ccc(F)cc2F)c1C(=O)c1cccc(-c2ccncc2)c1.
What is the InChIKey of [3-amino-5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-(3-pyridin-4-ylphenyl)methanone?
The InChIKey is LLQBUUCTYDBBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F2N4O/c22-15-4-5-16(17(23)11-15)19-18(21(24)27-26-19)20(28)14-3-1-2-13(10-14)12-6-8-25-9-7-12/h1-11H,(H3,24,26,27).
What are the key properties of [3-amino-5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-(3-pyridin-4-ylphenyl)methanone?
[3-amino-5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-(3-pyridin-4-ylphenyl)methanone has a molecular weight of 376.37 g/mol, XLogP of 4.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-(3-pyridin-4-ylphenyl)methanone is sourced from PubChem (CID 70103075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).