N-[(3-chloro-4-fluorophenyl)methyl]-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide

C17H12Cl2FN3O — CID 71824661

IUPACN-[(3-chloro-4-fluorophenyl)methyl]-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide
SMILESO=C(NCc1ccc(F)c(Cl)c1)c1cn[nH]c1-c1ccc(Cl)cc1
InChIInChI=1S/C17H12Cl2FN3O/c18-12-4-2-11(3-5-12)16-13(9-22-23-16)17(24)21-8-10-1-6-15(20)14(19)7-10/h1-7,9H,8H2,(H,21,24)(H,22,23)
InChIKeyHUDAJIFBVRVFEH-UHFFFAOYSA-N
MW364.21 g/mol
LogP4.45
Rot. Bonds4

About N-[(3-chloro-4-fluorophenyl)methyl]-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide

N-[(3-chloro-4-fluorophenyl)methyl]-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide (PubChem CID 71824661) has the molecular formula C17H12Cl2FN3O and a molecular weight of 364.21 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)methyl]-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)methyl]-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide
PubChem CID71824661
Molecular FormulaC17H12Cl2FN3O
Molecular Weight364.21 g/mol
Exact Mass363.03
IUPAC NameN-[(3-chloro-4-fluorophenyl)methyl]-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide
SMILESO=C(NCc1ccc(F)c(Cl)c1)c1cn[nH]c1-c1ccc(Cl)cc1
InChIInChI=1S/C17H12Cl2FN3O/c18-12-4-2-11(3-5-12)16-13(9-22-23-16)17(24)21-8-10-1-6-15(20)14(19)7-10/h1-7,9H,8H2,(H,21,24)(H,22,23)
InChIKeyHUDAJIFBVRVFEH-UHFFFAOYSA-N
XLogP4.45
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.21
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chlorophenyl)methyl]-5-(4-ethylphenyl)-1H-pyrazole-4-carboxamide
CID 71824412
N-[(3-chloro-4-fluorophenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 62734214
N-[(4-fluorophenyl)methyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 71824635
5-(4-ethylphenyl)-N-[(4-fluorophenyl)methyl]-1H-pyrazole-4-carboxamide
CID 53490374
5-(4-chlorophenyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 18136016
5-(4-ethylphenyl)-N-[(4-ethylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824428
3-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-4-carboxamide
CID 66484344
5-(3-chloro-4-fluorophenyl)-N-[3-[[(2-chlorophenyl)carbamoylamino]methyl]phenyl]-1H-pyrazole-4-carboxamide
CID 166379712
2-amino-5-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-4-carboxamide
CID 114923313
5-(4-chlorophenyl)-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-1H-pyrazole-4-carboxamide
CID 60590298
N-(1,3-benzodioxol-5-ylmethyl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazole-4-carboxamide
CID 17438402
5-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824675

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide (CID 71824661) is N-[(3-chloro-4-fluorophenyl)methyl]-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)methyl]-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)methyl]-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide is O=C(NCc1ccc(F)c(Cl)c1)c1cn[nH]c1-c1ccc(Cl)cc1.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)methyl]-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide?
The InChIKey is HUDAJIFBVRVFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2FN3O/c18-12-4-2-11(3-5-12)16-13(9-22-23-16)17(24)21-8-10-1-6-15(20)14(19)7-10/h1-7,9H,8H2,(H,21,24)(H,22,23).
What are the key properties of N-[(3-chloro-4-fluorophenyl)methyl]-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide?
N-[(3-chloro-4-fluorophenyl)methyl]-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide has a molecular weight of 364.21 g/mol, XLogP of 4.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-fluorophenyl)methyl]-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 71824661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).