N-(2-chloro-4-morpholin-2-ylphenyl)-1-(4-fluorophenyl)pyrazole-4-carboxamide

C20H18ClFN4O2 — CID 71086792

IUPACN-(2-chloro-4-morpholin-2-ylphenyl)-1-(4-fluorophenyl)pyrazole-4-carboxamide
SMILESO=C(Nc1ccc(C2CNCCO2)cc1Cl)c1cnn(-c2ccc(F)cc2)c1
InChIInChI=1S/C20H18ClFN4O2/c21-17-9-13(19-11-23-7-8-28-19)1-6-18(17)25-20(27)14-10-24-26(12-14)16-4-2-15(22)3-5-16/h1-6,9-10,12,19,23H,7-8,11H2,(H,25,27)
InChIKeySFFQUAOVCNLRED-UHFFFAOYSA-N
MW400.84 g/mol
LogP3.58
Rot. Bonds4

About N-(2-chloro-4-morpholin-2-ylphenyl)-1-(4-fluorophenyl)pyrazole-4-carboxamide

N-(2-chloro-4-morpholin-2-ylphenyl)-1-(4-fluorophenyl)pyrazole-4-carboxamide (PubChem CID 71086792) has the molecular formula C20H18ClFN4O2 and a molecular weight of 400.84 g/mol. Its IUPAC name is N-(2-chloro-4-morpholin-2-ylphenyl)-1-(4-fluorophenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-morpholin-2-ylphenyl)-1-(4-fluorophenyl)pyrazole-4-carboxamide
PubChem CID71086792
Molecular FormulaC20H18ClFN4O2
Molecular Weight400.84 g/mol
Exact Mass400.11
IUPAC NameN-(2-chloro-4-morpholin-2-ylphenyl)-1-(4-fluorophenyl)pyrazole-4-carboxamide
SMILESO=C(Nc1ccc(C2CNCCO2)cc1Cl)c1cnn(-c2ccc(F)cc2)c1
InChIInChI=1S/C20H18ClFN4O2/c21-17-9-13(19-11-23-7-8-28-19)1-6-18(17)25-20(27)14-10-24-26(12-14)16-4-2-15(22)3-5-16/h1-6,9-10,12,19,23H,7-8,11H2,(H,25,27)
InChIKeySFFQUAOVCNLRED-UHFFFAOYSA-N
XLogP3.58
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.84
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-morpholin-2-ylphenyl)-1-(4-fluorophenyl)pyrazole-4-carboxamide?
The IUPAC name of N-(2-chloro-4-morpholin-2-ylphenyl)-1-(4-fluorophenyl)pyrazole-4-carboxamide (CID 71086792) is N-(2-chloro-4-morpholin-2-ylphenyl)-1-(4-fluorophenyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(2-chloro-4-morpholin-2-ylphenyl)-1-(4-fluorophenyl)pyrazole-4-carboxamide?
The canonical SMILES for N-(2-chloro-4-morpholin-2-ylphenyl)-1-(4-fluorophenyl)pyrazole-4-carboxamide is O=C(Nc1ccc(C2CNCCO2)cc1Cl)c1cnn(-c2ccc(F)cc2)c1.
What is the InChIKey of N-(2-chloro-4-morpholin-2-ylphenyl)-1-(4-fluorophenyl)pyrazole-4-carboxamide?
The InChIKey is SFFQUAOVCNLRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN4O2/c21-17-9-13(19-11-23-7-8-28-19)1-6-18(17)25-20(27)14-10-24-26(12-14)16-4-2-15(22)3-5-16/h1-6,9-10,12,19,23H,7-8,11H2,(H,25,27).
What are the key properties of N-(2-chloro-4-morpholin-2-ylphenyl)-1-(4-fluorophenyl)pyrazole-4-carboxamide?
N-(2-chloro-4-morpholin-2-ylphenyl)-1-(4-fluorophenyl)pyrazole-4-carboxamide has a molecular weight of 400.84 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-morpholin-2-ylphenyl)-1-(4-fluorophenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 71086792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).