1-(4-chlorophenyl)-N-[2-(furan-2-yl)ethyl]pyrazole-4-carboxamide

C16H14ClN3O2 — CID 50772791

IUPAC1-(4-chlorophenyl)-N-[2-(furan-2-yl)ethyl]pyrazole-4-carboxamide
SMILESO=C(NCCc1ccco1)c1cnn(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C16H14ClN3O2/c17-13-3-5-14(6-4-13)20-11-12(10-19-20)16(21)18-8-7-15-2-1-9-22-15/h1-6,9-11H,7-8H2,(H,18,21)
InChIKeyROGFSSFANLVBES-UHFFFAOYSA-N
MW315.76 g/mol
LogP3.09
Rot. Bonds5

About 1-(4-chlorophenyl)-N-[2-(furan-2-yl)ethyl]pyrazole-4-carboxamide

1-(4-chlorophenyl)-N-[2-(furan-2-yl)ethyl]pyrazole-4-carboxamide (PubChem CID 50772791) has the molecular formula C16H14ClN3O2 and a molecular weight of 315.76 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[2-(furan-2-yl)ethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[2-(furan-2-yl)ethyl]pyrazole-4-carboxamide
PubChem CID50772791
Molecular FormulaC16H14ClN3O2
Molecular Weight315.76 g/mol
Exact Mass315.08
IUPAC Name1-(4-chlorophenyl)-N-[2-(furan-2-yl)ethyl]pyrazole-4-carboxamide
SMILESO=C(NCCc1ccco1)c1cnn(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C16H14ClN3O2/c17-13-3-5-14(6-4-13)20-11-12(10-19-20)16(21)18-8-7-15-2-1-9-22-15/h1-6,9-11H,7-8H2,(H,18,21)
InChIKeyROGFSSFANLVBES-UHFFFAOYSA-N
XLogP3.09
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-1-phenylpyrazole-4-carboxamide
CID 9034607
1-(4-chlorophenyl)-N-(3-hydroxy-4-methylpentyl)pyrazole-4-carboxamide
CID 111461412
N-[2-(3-chlorophenyl)ethyl]-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 91486088
1-(4-chlorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]pyrazole-4-carboxamide
CID 55786624
N-[2-(2-chlorophenyl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 50772841
1-(4-chlorophenyl)-N-(3-ethoxypropyl)pyrazole-4-carboxamide
CID 50772943
5-(4-chlorophenyl)-N-[2-(furan-2-yl)ethyl]-1,3-oxazole-4-carboxamide
CID 126469074
1-(4-chlorophenyl)-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]pyrazole-4-carboxamide
CID 47056562
N-[2-(furan-2-yl)ethyl]-4-methylbenzamide
CID 5305680
2-amino-6-chloro-N-[2-(furan-2-yl)ethyl]pyridine-4-carboxamide
CID 62161577
N-[3-(4-benzylpiperazin-1-yl)propyl]-1-(4-chlorophenyl)pyrazole-4-carboxamide
CID 55852638
5-chloro-N-[2-(furan-2-yl)ethyl]-6-(methylamino)pyridine-3-carboxamide
CID 55047426

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[2-(furan-2-yl)ethyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[2-(furan-2-yl)ethyl]pyrazole-4-carboxamide (CID 50772791) is 1-(4-chlorophenyl)-N-[2-(furan-2-yl)ethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[2-(furan-2-yl)ethyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[2-(furan-2-yl)ethyl]pyrazole-4-carboxamide is O=C(NCCc1ccco1)c1cnn(-c2ccc(Cl)cc2)c1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[2-(furan-2-yl)ethyl]pyrazole-4-carboxamide?
The InChIKey is ROGFSSFANLVBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O2/c17-13-3-5-14(6-4-13)20-11-12(10-19-20)16(21)18-8-7-15-2-1-9-22-15/h1-6,9-11H,7-8H2,(H,18,21).
What are the key properties of 1-(4-chlorophenyl)-N-[2-(furan-2-yl)ethyl]pyrazole-4-carboxamide?
1-(4-chlorophenyl)-N-[2-(furan-2-yl)ethyl]pyrazole-4-carboxamide has a molecular weight of 315.76 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[2-(furan-2-yl)ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 50772791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).