N-benzyl-1-(4-chlorophenyl)-3-(furan-2-yl)pyrazole-5-carboxamide

C21H16ClN3O2 — CID 1053385

IUPACN-benzyl-1-(4-chlorophenyl)-3-(furan-2-yl)pyrazole-5-carboxamide
SMILESO=C(NCc1ccccc1)c1cc(-c2ccco2)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C21H16ClN3O2/c22-16-8-10-17(11-9-16)25-19(13-18(24-25)20-7-4-12-27-20)21(26)23-14-15-5-2-1-3-6-15/h1-13H,14H2,(H,23,26)
InChIKeyASQPQQMUDYHUOY-UHFFFAOYSA-N
MW377.83 g/mol
LogP4.72
Rot. Bonds5

About N-benzyl-1-(4-chlorophenyl)-3-(furan-2-yl)pyrazole-5-carboxamide

N-benzyl-1-(4-chlorophenyl)-3-(furan-2-yl)pyrazole-5-carboxamide (PubChem CID 1053385) has the molecular formula C21H16ClN3O2 and a molecular weight of 377.83 g/mol. Its IUPAC name is N-benzyl-1-(4-chlorophenyl)-3-(furan-2-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(4-chlorophenyl)-3-(furan-2-yl)pyrazole-5-carboxamide
PubChem CID1053385
Molecular FormulaC21H16ClN3O2
Molecular Weight377.83 g/mol
Exact Mass377.09
IUPAC NameN-benzyl-1-(4-chlorophenyl)-3-(furan-2-yl)pyrazole-5-carboxamide
SMILESO=C(NCc1ccccc1)c1cc(-c2ccco2)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C21H16ClN3O2/c22-16-8-10-17(11-9-16)25-19(13-18(24-25)20-7-4-12-27-20)21(26)23-14-15-5-2-1-3-6-15/h1-13H,14H2,(H,23,26)
InChIKeyASQPQQMUDYHUOY-UHFFFAOYSA-N
XLogP4.72
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.83
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dichlorophenyl)-3-(furan-2-yl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 1053539
1-(4-fluorophenyl)-3-(furan-2-yl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide
CID 1053454
1-(3-chlorophenyl)-3-(furan-2-yl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 1053527
1-(4-chlorophenyl)-3-(furan-2-yl)-N-propan-2-ylpyrazole-5-carboxamide
CID 2382321
3-(furan-2-yl)-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 1053382
N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide
CID 55689940
1-(4-fluorophenyl)-3-(furan-2-yl)-N-(furan-2-ylmethyl)pyrazole-5-carboxamide
CID 42762262
3-(furan-2-yl)-N-(2-hydroxypropyl)-1-phenylpyrazole-5-carboxamide
CID 78855996
N-benzyl-1-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)pyrazole-5-carboxamide
CID 4310437
(4-benzylpiperidin-1-yl)-[1-(4-chlorophenyl)-3-(furan-2-yl)pyrazol-5-yl]methanone
CID 46120011
1-(4-chlorophenyl)-3-(furan-2-yl)-N,N-dipropylpyrazole-5-carboxamide
CID 1053398
N-(1H-benzimidazol-2-ylmethyl)-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide
CID 18131972

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(4-chlorophenyl)-3-(furan-2-yl)pyrazole-5-carboxamide?
The IUPAC name of N-benzyl-1-(4-chlorophenyl)-3-(furan-2-yl)pyrazole-5-carboxamide (CID 1053385) is N-benzyl-1-(4-chlorophenyl)-3-(furan-2-yl)pyrazole-5-carboxamide.
What is the SMILES notation for N-benzyl-1-(4-chlorophenyl)-3-(furan-2-yl)pyrazole-5-carboxamide?
The canonical SMILES for N-benzyl-1-(4-chlorophenyl)-3-(furan-2-yl)pyrazole-5-carboxamide is O=C(NCc1ccccc1)c1cc(-c2ccco2)nn1-c1ccc(Cl)cc1.
What is the InChIKey of N-benzyl-1-(4-chlorophenyl)-3-(furan-2-yl)pyrazole-5-carboxamide?
The InChIKey is ASQPQQMUDYHUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O2/c22-16-8-10-17(11-9-16)25-19(13-18(24-25)20-7-4-12-27-20)21(26)23-14-15-5-2-1-3-6-15/h1-13H,14H2,(H,23,26).
What are the key properties of N-benzyl-1-(4-chlorophenyl)-3-(furan-2-yl)pyrazole-5-carboxamide?
N-benzyl-1-(4-chlorophenyl)-3-(furan-2-yl)pyrazole-5-carboxamide has a molecular weight of 377.83 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(4-chlorophenyl)-3-(furan-2-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 1053385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).