5-amino-1-(4-fluorophenyl)-N-(4-morpholin-2-ylphenyl)pyrazole-4-carboxamide;dihydrochloride

C20H22Cl2FN5O2 — CID 90047544

IUPAC5-amino-1-(4-fluorophenyl)-N-(4-morpholin-2-ylphenyl)pyrazole-4-carboxamide;dihydrochloride
SMILESCl.Cl.Nc1c(C(=O)Nc2ccc(C3CNCCO3)cc2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C20H20FN5O2.2ClH/c21-14-3-7-16(8-4-14)26-19(22)17(11-24-26)20(27)25-15-5-1-13(2-6-15)18-12-23-9-10-28-18;;/h1-8,11,18,23H,9-10,12,22H2,(H,25,27);2*1H
InChIKeyQLDXVZPAFKXALZ-UHFFFAOYSA-N
MW454.33 g/mol
LogP3.35
Rot. Bonds4

About 5-amino-1-(4-fluorophenyl)-N-(4-morpholin-2-ylphenyl)pyrazole-4-carboxamide;dihydrochloride

5-amino-1-(4-fluorophenyl)-N-(4-morpholin-2-ylphenyl)pyrazole-4-carboxamide;dihydrochloride (PubChem CID 90047544) has the molecular formula C20H22Cl2FN5O2 and a molecular weight of 454.33 g/mol. Its IUPAC name is 5-amino-1-(4-fluorophenyl)-N-(4-morpholin-2-ylphenyl)pyrazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name5-amino-1-(4-fluorophenyl)-N-(4-morpholin-2-ylphenyl)pyrazole-4-carboxamide;dihydrochloride
PubChem CID90047544
Molecular FormulaC20H22Cl2FN5O2
Molecular Weight454.33 g/mol
Exact Mass453.11
IUPAC Name5-amino-1-(4-fluorophenyl)-N-(4-morpholin-2-ylphenyl)pyrazole-4-carboxamide;dihydrochloride
SMILESCl.Cl.Nc1c(C(=O)Nc2ccc(C3CNCCO3)cc2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C20H20FN5O2.2ClH/c21-14-3-7-16(8-4-14)26-19(22)17(11-24-26)20(27)25-15-5-1-13(2-6-15)18-12-23-9-10-28-18;;/h1-8,11,18,23H,9-10,12,22H2,(H,25,27);2*1H
InChIKeyQLDXVZPAFKXALZ-UHFFFAOYSA-N
XLogP3.35
TPSA94.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.33
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(4-fluorophenyl)-N-(4-morpholin-2-ylphenyl)pyrazole-4-carboxamide;dihydrochloride?
The IUPAC name of 5-amino-1-(4-fluorophenyl)-N-(4-morpholin-2-ylphenyl)pyrazole-4-carboxamide;dihydrochloride (CID 90047544) is 5-amino-1-(4-fluorophenyl)-N-(4-morpholin-2-ylphenyl)pyrazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for 5-amino-1-(4-fluorophenyl)-N-(4-morpholin-2-ylphenyl)pyrazole-4-carboxamide;dihydrochloride?
The canonical SMILES for 5-amino-1-(4-fluorophenyl)-N-(4-morpholin-2-ylphenyl)pyrazole-4-carboxamide;dihydrochloride is Cl.Cl.Nc1c(C(=O)Nc2ccc(C3CNCCO3)cc2)cnn1-c1ccc(F)cc1.
What is the InChIKey of 5-amino-1-(4-fluorophenyl)-N-(4-morpholin-2-ylphenyl)pyrazole-4-carboxamide;dihydrochloride?
The InChIKey is QLDXVZPAFKXALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O2.2ClH/c21-14-3-7-16(8-4-14)26-19(22)17(11-24-26)20(27)25-15-5-1-13(2-6-15)18-12-23-9-10-28-18;;/h1-8,11,18,23H,9-10,12,22H2,(H,25,27);2*1H.
What are the key properties of 5-amino-1-(4-fluorophenyl)-N-(4-morpholin-2-ylphenyl)pyrazole-4-carboxamide;dihydrochloride?
5-amino-1-(4-fluorophenyl)-N-(4-morpholin-2-ylphenyl)pyrazole-4-carboxamide;dihydrochloride has a molecular weight of 454.33 g/mol, XLogP of 3.35, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(4-fluorophenyl)-N-(4-morpholin-2-ylphenyl)pyrazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 90047544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).