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

C21H14F2N4O — CID 11689340

IUPAC[5-amino-1-(2,4-difluorophenyl)pyrazol-4-yl]-(3-pyridin-3-ylphenyl)methanone
SMILESNc1c(C(=O)c2cccc(-c3cccnc3)c2)cnn1-c1ccc(F)cc1F
InChIInChI=1S/C21H14F2N4O/c22-16-6-7-19(18(23)10-16)27-21(24)17(12-26-27)20(28)14-4-1-3-13(9-14)15-5-2-8-25-11-15/h1-12H,24H2
InChIKeyDGTYVNDZYOVKCN-UHFFFAOYSA-N
MW376.37 g/mol
LogP4.03
Rot. Bonds4

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

[5-amino-1-(2,4-difluorophenyl)pyrazol-4-yl]-(3-pyridin-3-ylphenyl)methanone (PubChem CID 11689340) has the molecular formula C21H14F2N4O and a molecular weight of 376.37 g/mol. Its IUPAC name is [5-amino-1-(2,4-difluorophenyl)pyrazol-4-yl]-(3-pyridin-3-ylphenyl)methanone.

Molecular Properties

Compound Name[5-amino-1-(2,4-difluorophenyl)pyrazol-4-yl]-(3-pyridin-3-ylphenyl)methanone
PubChem CID11689340
Molecular FormulaC21H14F2N4O
Molecular Weight376.37 g/mol
Exact Mass376.11
IUPAC Name[5-amino-1-(2,4-difluorophenyl)pyrazol-4-yl]-(3-pyridin-3-ylphenyl)methanone
SMILESNc1c(C(=O)c2cccc(-c3cccnc3)c2)cnn1-c1ccc(F)cc1F
InChIInChI=1S/C21H14F2N4O/c22-16-6-7-19(18(23)10-16)27-21(24)17(12-26-27)20(28)14-4-1-3-13(9-14)15-5-2-8-25-11-15/h1-12H,24H2
InChIKeyDGTYVNDZYOVKCN-UHFFFAOYSA-N
XLogP4.03
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,4-difluorophenyl)-4-{[3-(pyridin-4-yl)phenyl]carbonyl}-1H-pyrazol-5-amine
CID 9864447
5-Amino-4-[3-(2-aminosulfonylethyl)benzoyl]-1-(4-fluorophenyl)pyrazole
CID 9908316
5-Amino-1-(4-fluorophenyl)-4-[3-(pyridin-3-yl)benzoyl]pyrazole
CID 9950664
5-Amino-1-(4-fluorophenyl)-4-[3-(3-morpholin-4-ylprop-1-ynyl)benzoyl]pyrazole
CID 9953051
[5-amino-1-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(3-hydroxyprop-1-ynyl)phenyl]methanone
CID 11508284
1-(4-fluorophenyl)-4-({3-[2-(4-methylpiperazin-1-yl)ethyl]phenyl}carbonyl)-1H-pyrazol-5-amine
CID 11531595
(5-amino-1-(4-fluorophenyl)-1H-pyrazol-4-yl)(phenyl)methanone
CID 11565393
5-Amino-4-[3-(2-aminoethyl)benzoyl]-1-(4-fluorophenyl)pyrazole
CID 11566683
1-(4-fluorophenyl)-4-{[3-(4-methylpiperazin-1-yl)phenyl]carbonyl}-1H-pyrazol-5-amine
CID 11567867
1-(4-fluorophenyl)-4-{[4-(pyridin-3-yl)phenyl]carbonyl}-1H-pyrazol-5-amine
CID 11602903
[5-amino-1-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(3-hydroxy-3-methyl-butyl)phenyl]methanone
CID 11660643
4-benzoyl-1-(2-fluorophenyl)-1H-pyrazol-5-amine
CID 11673569

Frequently Asked Questions

What is the IUPAC name of [5-amino-1-(2,4-difluorophenyl)pyrazol-4-yl]-(3-pyridin-3-ylphenyl)methanone?
The IUPAC name of [5-amino-1-(2,4-difluorophenyl)pyrazol-4-yl]-(3-pyridin-3-ylphenyl)methanone (CID 11689340) is [5-amino-1-(2,4-difluorophenyl)pyrazol-4-yl]-(3-pyridin-3-ylphenyl)methanone.
What is the SMILES notation for [5-amino-1-(2,4-difluorophenyl)pyrazol-4-yl]-(3-pyridin-3-ylphenyl)methanone?
The canonical SMILES for [5-amino-1-(2,4-difluorophenyl)pyrazol-4-yl]-(3-pyridin-3-ylphenyl)methanone is Nc1c(C(=O)c2cccc(-c3cccnc3)c2)cnn1-c1ccc(F)cc1F.
What is the InChIKey of [5-amino-1-(2,4-difluorophenyl)pyrazol-4-yl]-(3-pyridin-3-ylphenyl)methanone?
The InChIKey is DGTYVNDZYOVKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F2N4O/c22-16-6-7-19(18(23)10-16)27-21(24)17(12-26-27)20(28)14-4-1-3-13(9-14)15-5-2-8-25-11-15/h1-12H,24H2.
What are the key properties of [5-amino-1-(2,4-difluorophenyl)pyrazol-4-yl]-(3-pyridin-3-ylphenyl)methanone?
[5-amino-1-(2,4-difluorophenyl)pyrazol-4-yl]-(3-pyridin-3-ylphenyl)methanone has a molecular weight of 376.37 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-1-(2,4-difluorophenyl)pyrazol-4-yl]-(3-pyridin-3-ylphenyl)methanone is sourced from PubChem (CID 11689340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).