1-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-N-morpholin-4-ylpyrazole-4-carboxamide

C20H17Cl2FN4O2 — CID 25185965

IUPAC1-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-N-morpholin-4-ylpyrazole-4-carboxamide
SMILESO=C(NN1CCOCC1)c1cnn(-c2ccc(Cl)cc2Cl)c1-c1ccc(F)cc1
InChIInChI=1S/C20H17Cl2FN4O2/c21-14-3-6-18(17(22)11-14)27-19(13-1-4-15(23)5-2-13)16(12-24-27)20(28)25-26-7-9-29-10-8-26/h1-6,11-12H,7-10H2,(H,25,28)
InChIKeyRXIHJPHUJRMANO-UHFFFAOYSA-N
MW435.29 g/mol
LogP3.96
Rot. Bonds4

About 1-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-N-morpholin-4-ylpyrazole-4-carboxamide

1-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-N-morpholin-4-ylpyrazole-4-carboxamide (PubChem CID 25185965) has the molecular formula C20H17Cl2FN4O2 and a molecular weight of 435.29 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-N-morpholin-4-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-N-morpholin-4-ylpyrazole-4-carboxamide
PubChem CID25185965
Molecular FormulaC20H17Cl2FN4O2
Molecular Weight435.29 g/mol
Exact Mass434.07
IUPAC Name1-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-N-morpholin-4-ylpyrazole-4-carboxamide
SMILESO=C(NN1CCOCC1)c1cnn(-c2ccc(Cl)cc2Cl)c1-c1ccc(F)cc1
InChIInChI=1S/C20H17Cl2FN4O2/c21-14-3-6-18(17(22)11-14)27-19(13-1-4-15(23)5-2-13)16(12-24-27)20(28)25-26-7-9-29-10-8-26/h1-6,11-12H,7-10H2,(H,25,28)
InChIKeyRXIHJPHUJRMANO-UHFFFAOYSA-N
XLogP3.96
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.29
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)pyrazole-4-carboxamide
CID 25185393
N-cyclohexyl-1-(2,4-dichlorophenyl)-5-(4-methylphenyl)pyrazole-4-carboxamide
CID 25186509
5-(4-cyclopropylphenyl)-1-(2,4-dichlorophenyl)-4-ethyl-N-morpholin-4-ylpyrazole-3-carboxamide
CID 71089145
[(8E)-1-(2,4-dichlorophenyl)-8-[(4-fluorophenyl)methylidene]-4,5,6,7-tetrahydrocyclohepta[d]pyrazol-3-yl] N-morpholin-4-ylcarbamate
CID 66647498
4-chloro-N-morpholin-4-ylpyridine-3-carboxamide
CID 82841865
1-(2,4-dichlorophenyl)-N-morpholin-4-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride
CID 24966851
5-chloro-2-(methylamino)-N-morpholin-4-ylbenzamide
CID 83023895
5-cyclopropyl-1-(2,4-dichlorophenyl)-N'-[2-(4-fluorophenyl)acetyl]pyrazole-4-carbohydrazide
CID 55616369
5-[1-(4-chlorophenyl)prop-1-en-2-yl]-1-(2,4-dichlorophenyl)-4-methyl-N-morpholin-4-ylpyrazole-3-carboxamide
CID 67158956
5-(4-chlorophenyl)-N'-cyclopropyl-1-(2,4-dichlorophenyl)-N-morpholin-4-ylpyrazole-3-carboximidamide
CID 118470760
(7Z)-N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-4H-pyrano[3,4-d]pyrazole-3-carboxamide
CID 58916342
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrrole-3-carboxamide
CID 10095901

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-N-morpholin-4-ylpyrazole-4-carboxamide?
The IUPAC name of 1-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-N-morpholin-4-ylpyrazole-4-carboxamide (CID 25185965) is 1-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-N-morpholin-4-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-N-morpholin-4-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-N-morpholin-4-ylpyrazole-4-carboxamide is O=C(NN1CCOCC1)c1cnn(-c2ccc(Cl)cc2Cl)c1-c1ccc(F)cc1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-N-morpholin-4-ylpyrazole-4-carboxamide?
The InChIKey is RXIHJPHUJRMANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2FN4O2/c21-14-3-6-18(17(22)11-14)27-19(13-1-4-15(23)5-2-13)16(12-24-27)20(28)25-26-7-9-29-10-8-26/h1-6,11-12H,7-10H2,(H,25,28).
What are the key properties of 1-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-N-morpholin-4-ylpyrazole-4-carboxamide?
1-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-N-morpholin-4-ylpyrazole-4-carboxamide has a molecular weight of 435.29 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-N-morpholin-4-ylpyrazole-4-carboxamide is sourced from PubChem (CID 25185965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).