1-(2-chlorophenyl)-N-(2-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazole-5-carboxamide

C21H15ClFN3O2 — CID 3543869

IUPAC1-(2-chlorophenyl)-N-(2-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazole-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3ccccc3F)n(-c3ccccc3Cl)n2)o1
InChIInChI=1S/C21H15ClFN3O2/c1-13-10-11-20(28-13)17-12-19(21(27)24-16-8-4-3-7-15(16)23)26(25-17)18-9-5-2-6-14(18)22/h2-12H,1H3,(H,24,27)
InChIKeySQDUZQUKJGRXCC-UHFFFAOYSA-N
MW395.82 g/mol
LogP5.49
Rot. Bonds4

About 1-(2-chlorophenyl)-N-(2-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazole-5-carboxamide

1-(2-chlorophenyl)-N-(2-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazole-5-carboxamide (PubChem CID 3543869) has the molecular formula C21H15ClFN3O2 and a molecular weight of 395.82 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-(2-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-(2-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazole-5-carboxamide
PubChem CID3543869
Molecular FormulaC21H15ClFN3O2
Molecular Weight395.82 g/mol
Exact Mass395.08
IUPAC Name1-(2-chlorophenyl)-N-(2-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazole-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3ccccc3F)n(-c3ccccc3Cl)n2)o1
InChIInChI=1S/C21H15ClFN3O2/c1-13-10-11-20(28-13)17-12-19(21(27)24-16-8-4-3-7-15(16)23)26(25-17)18-9-5-2-6-14(18)22/h2-12H,1H3,(H,24,27)
InChIKeySQDUZQUKJGRXCC-UHFFFAOYSA-N
XLogP5.49
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.82
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-butan-2-yl]-1-(2-chlorophenyl)-3-(5-methylfuran-2-yl)pyrazole-5-carboxamide
CID 7271587
1-(2-chlorophenyl)-N-(4-fluorophenyl)-3-phenylpyrazole-5-carboxamide
CID 4298131
1-(2,4-dimethylphenyl)-N,3-bis(2-fluorophenyl)pyrazole-5-carboxamide
CID 3957723
(4-benzylpiperidin-1-yl)-[1-(2-chlorophenyl)-3-(5-methylfuran-2-yl)pyrazol-5-yl]methanone
CID 3683577
1-(2-chlorophenyl)-N-(2,4-difluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 9078569
N-(2-fluorophenyl)-1-(4-methoxyphenyl)-3-phenylpyrazole-5-carboxamide
CID 42754604
N-(2-fluorophenyl)-5-methylfuran-2-carboxamide
CID 3297570
1-(2,5-dimethylphenyl)-N-(2-fluorophenyl)-3-(4-nitrophenyl)pyrazole-5-carboxamide
CID 1053304
3-(5-methylfuran-2-yl)-N-pentyl-1-phenylpyrazole-5-carboxamide
CID 42759443
N-(3-chloro-2-methylphenyl)-1,3-diphenylpyrazole-5-carboxamide
CID 7915082
1-(2-chlorophenyl)-6-methyl-N-(2-methylphenyl)-4-oxopyridazine-3-carboxamide
CID 7602453
1-(2-chlorophenyl)-N-(3-methylbutyl)-3-phenylpyrazole-5-carboxamide
CID 3565109

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-(2-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazole-5-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-N-(2-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazole-5-carboxamide (CID 3543869) is 1-(2-chlorophenyl)-N-(2-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-(2-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazole-5-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-(2-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazole-5-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3ccccc3F)n(-c3ccccc3Cl)n2)o1.
What is the InChIKey of 1-(2-chlorophenyl)-N-(2-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazole-5-carboxamide?
The InChIKey is SQDUZQUKJGRXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClFN3O2/c1-13-10-11-20(28-13)17-12-19(21(27)24-16-8-4-3-7-15(16)23)26(25-17)18-9-5-2-6-14(18)22/h2-12H,1H3,(H,24,27).
What are the key properties of 1-(2-chlorophenyl)-N-(2-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazole-5-carboxamide?
1-(2-chlorophenyl)-N-(2-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazole-5-carboxamide has a molecular weight of 395.82 g/mol, XLogP of 5.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-(2-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 3543869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).