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

C21H14F2N4O2 — CID 23647182

IUPAC[5-amino-1-(2,4-difluorophenyl)pyrazol-4-yl]-(3-pyridin-3-yloxyphenyl)methanone
SMILESNc1c(C(=O)c2cccc(Oc3cccnc3)c2)cnn1-c1ccc(F)cc1F
InChIInChI=1S/C21H14F2N4O2/c22-14-6-7-19(18(23)10-14)27-21(24)17(12-26-27)20(28)13-3-1-4-15(9-13)29-16-5-2-8-25-11-16/h1-12H,24H2
InChIKeyPERCBPSYBMFECH-UHFFFAOYSA-N
MW392.37 g/mol
LogP4.15
Rot. Bonds5

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

[5-amino-1-(2,4-difluorophenyl)pyrazol-4-yl]-(3-pyridin-3-yloxyphenyl)methanone (PubChem CID 23647182) has the molecular formula C21H14F2N4O2 and a molecular weight of 392.37 g/mol. Its IUPAC name is [5-amino-1-(2,4-difluorophenyl)pyrazol-4-yl]-(3-pyridin-3-yloxyphenyl)methanone.

Molecular Properties

Compound Name[5-amino-1-(2,4-difluorophenyl)pyrazol-4-yl]-(3-pyridin-3-yloxyphenyl)methanone
PubChem CID23647182
Molecular FormulaC21H14F2N4O2
Molecular Weight392.37 g/mol
Exact Mass392.11
IUPAC Name[5-amino-1-(2,4-difluorophenyl)pyrazol-4-yl]-(3-pyridin-3-yloxyphenyl)methanone
SMILESNc1c(C(=O)c2cccc(Oc3cccnc3)c2)cnn1-c1ccc(F)cc1F
InChIInChI=1S/C21H14F2N4O2/c22-14-6-7-19(18(23)10-14)27-21(24)17(12-26-27)20(28)13-3-1-4-15(9-13)29-16-5-2-8-25-11-16/h1-12H,24H2
InChIKeyPERCBPSYBMFECH-UHFFFAOYSA-N
XLogP4.15
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.37
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[5-Amino-1-(4-fluorophenyl)-1H-pyrazol-4-YL][3-(piperidin-4-yloxy)phenyl]methanone
CID 5327066
5-Amino-1-(4-fluorophenyl)-4-[3-(2-morpholin-4-ylethoxy)benzoyl]pyrazole
CID 9931377
4-benzoyl-1-(2-methoxyphenyl)-1H-pyrazol-5-amine
CID 11580175
1-(4-fluorophenyl)-4-({3-[2-(piperidin-1-yl)ethoxy]phenyl}carbonyl)-1H-pyrazol-5-amine
CID 11561357
(17R)-20-amino-14-fluoro-4,6,9,17-tetramethyl-18-oxa-5,6,9,21-tetrazatetracyclo[17.3.1.03,7.011,16]tricosa-1(23),3(7),4,11(16),12,14,19,21-octaen-10-one
CID 155563111
N-[3-[(5-carbamoyl-3-pyridinyl)oxymethyl]phenyl]-6-pyrazol-1-ylpyridine-3-carboxamide
CID 124156596
US10138229, Example 121
CID 89969016
[3-[(4-Fluorophenyl)methylamino]-1-pyridin-2-ylpyrazol-4-yl]-(2-methoxyphenyl)methanone
CID 142770563
(Method D)
CID 171529195
US20250326769, Example 76
CID 171529609
US20250326769, Example 47
CID 177763654
5-Amino-1-(4-fluorophenyl)-4-[3-(methylaminocarbonylmethyloxy)benzoyl]pyrazole
CID 9864062

Frequently Asked Questions

What is the IUPAC name of [5-amino-1-(2,4-difluorophenyl)pyrazol-4-yl]-(3-pyridin-3-yloxyphenyl)methanone?
The IUPAC name of [5-amino-1-(2,4-difluorophenyl)pyrazol-4-yl]-(3-pyridin-3-yloxyphenyl)methanone (CID 23647182) is [5-amino-1-(2,4-difluorophenyl)pyrazol-4-yl]-(3-pyridin-3-yloxyphenyl)methanone.
What is the SMILES notation for [5-amino-1-(2,4-difluorophenyl)pyrazol-4-yl]-(3-pyridin-3-yloxyphenyl)methanone?
The canonical SMILES for [5-amino-1-(2,4-difluorophenyl)pyrazol-4-yl]-(3-pyridin-3-yloxyphenyl)methanone is Nc1c(C(=O)c2cccc(Oc3cccnc3)c2)cnn1-c1ccc(F)cc1F.
What is the InChIKey of [5-amino-1-(2,4-difluorophenyl)pyrazol-4-yl]-(3-pyridin-3-yloxyphenyl)methanone?
The InChIKey is PERCBPSYBMFECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F2N4O2/c22-14-6-7-19(18(23)10-14)27-21(24)17(12-26-27)20(28)13-3-1-4-15(9-13)29-16-5-2-8-25-11-16/h1-12H,24H2.
What are the key properties of [5-amino-1-(2,4-difluorophenyl)pyrazol-4-yl]-(3-pyridin-3-yloxyphenyl)methanone?
[5-amino-1-(2,4-difluorophenyl)pyrazol-4-yl]-(3-pyridin-3-yloxyphenyl)methanone has a molecular weight of 392.37 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-1-(2,4-difluorophenyl)pyrazol-4-yl]-(3-pyridin-3-yloxyphenyl)methanone is sourced from PubChem (CID 23647182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).