1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-(2,2-difluoropropyl)-4-(2-hydroxyethyl)pyrazole-3-carboxamide

C21H19Cl2F2N3O2 — CID 42637819

IUPAC1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-(2,2-difluoropropyl)-4-(2-hydroxyethyl)pyrazole-3-carboxamide
SMILESCC(F)(F)CNC(=O)c1nn(-c2ccccc2Cl)c(-c2ccc(Cl)cc2)c1CCO
InChIInChI=1S/C21H19Cl2F2N3O2/c1-21(24,25)12-26-20(30)18-15(10-11-29)19(13-6-8-14(22)9-7-13)28(27-18)17-5-3-2-4-16(17)23/h2-9,29H,10-12H2,1H3,(H,26,30)
InChIKeyLESZCPYWEMHHTH-UHFFFAOYSA-N
MW454.30 g/mol
LogP4.77
Rot. Bonds7

About 1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-(2,2-difluoropropyl)-4-(2-hydroxyethyl)pyrazole-3-carboxamide

1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-(2,2-difluoropropyl)-4-(2-hydroxyethyl)pyrazole-3-carboxamide (PubChem CID 42637819) has the molecular formula C21H19Cl2F2N3O2 and a molecular weight of 454.30 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-(2,2-difluoropropyl)-4-(2-hydroxyethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-(2,2-difluoropropyl)-4-(2-hydroxyethyl)pyrazole-3-carboxamide
PubChem CID42637819
Molecular FormulaC21H19Cl2F2N3O2
Molecular Weight454.30 g/mol
Exact Mass453.08
IUPAC Name1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-(2,2-difluoropropyl)-4-(2-hydroxyethyl)pyrazole-3-carboxamide
SMILESCC(F)(F)CNC(=O)c1nn(-c2ccccc2Cl)c(-c2ccc(Cl)cc2)c1CCO
InChIInChI=1S/C21H19Cl2F2N3O2/c1-21(24,25)12-26-20(30)18-15(10-11-29)19(13-6-8-14(22)9-7-13)28(27-18)17-5-3-2-4-16(17)23/h2-9,29H,10-12H2,1H3,(H,26,30)
InChIKeyLESZCPYWEMHHTH-UHFFFAOYSA-N
XLogP4.77
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.30
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-[[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]carbamoyl]pyrazol-4-yl]acetate
CID 59581377
2-[1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-[(4-fluorophenyl)methylcarbamoyl]pyrazol-4-yl]acetic acid
CID 69228973
1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(1,2,4-triazol-1-ylmethyl)-N-[1-(trifluoromethyl)cyclopropyl]pyrazole-3-carboxamide
CID 46230699
acetylene;1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(2-ethoxy-2-oxoethyl)pyrazole-3-carboxylic acid;ethane
CID 143816722
ethyl 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methylpyrazole-3-carboxylate
CID 58760952
ethyl 2-[1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-[[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]carbamoyl]pyrazol-4-yl]oxyacetate
CID 66773063
1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methoxy-N-(2-methylsulfinylethyl)pyrazole-3-carboxamide
CID 66863225
1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(cyanomethyl)-N-piperidin-1-ylpyrazole-3-carboxamide
CID 46225009
ethyl 4-bromo-1-(2-chlorophenyl)-5-(4-chlorophenyl)pyrazole-3-carboxylate
CID 58763925
4-(2-amino-2-iminoethyl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-(4-fluorophenyl)pyrazole-3-carboxamide
CID 25027058
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(hydroxymethyl)-N-(2-trimethylsilylethyl)pyrazole-3-carboxamide
CID 86567497
4-[(2Z)-2-amino-2-hydroxyiminoethyl]-1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-piperidin-1-ylpyrazole-3-carboxamide
CID 25024108

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-(2,2-difluoropropyl)-4-(2-hydroxyethyl)pyrazole-3-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-(2,2-difluoropropyl)-4-(2-hydroxyethyl)pyrazole-3-carboxamide (CID 42637819) is 1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-(2,2-difluoropropyl)-4-(2-hydroxyethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-(2,2-difluoropropyl)-4-(2-hydroxyethyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-(2,2-difluoropropyl)-4-(2-hydroxyethyl)pyrazole-3-carboxamide is CC(F)(F)CNC(=O)c1nn(-c2ccccc2Cl)c(-c2ccc(Cl)cc2)c1CCO.
What is the InChIKey of 1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-(2,2-difluoropropyl)-4-(2-hydroxyethyl)pyrazole-3-carboxamide?
The InChIKey is LESZCPYWEMHHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2F2N3O2/c1-21(24,25)12-26-20(30)18-15(10-11-29)19(13-6-8-14(22)9-7-13)28(27-18)17-5-3-2-4-16(17)23/h2-9,29H,10-12H2,1H3,(H,26,30).
What are the key properties of 1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-(2,2-difluoropropyl)-4-(2-hydroxyethyl)pyrazole-3-carboxamide?
1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-(2,2-difluoropropyl)-4-(2-hydroxyethyl)pyrazole-3-carboxamide has a molecular weight of 454.30 g/mol, XLogP of 4.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-(2,2-difluoropropyl)-4-(2-hydroxyethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 42637819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).