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

C15H12ClN3O2 — CID 18155726

IUPAC1-(4-chlorophenyl)-5-(furan-2-yl)-N-methylpyrazole-3-carboxamide
SMILESCNC(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C15H12ClN3O2/c1-17-15(20)12-9-13(14-3-2-8-21-14)19(18-12)11-6-4-10(16)5-7-11/h2-9H,1H3,(H,17,20)
InChIKeyRAVVCIMUJMDRMW-UHFFFAOYSA-N
MW301.73 g/mol
LogP3.15
Rot. Bonds3

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

1-(4-chlorophenyl)-5-(furan-2-yl)-N-methylpyrazole-3-carboxamide (PubChem CID 18155726) has the molecular formula C15H12ClN3O2 and a molecular weight of 301.73 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-(furan-2-yl)-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-(furan-2-yl)-N-methylpyrazole-3-carboxamide
PubChem CID18155726
Molecular FormulaC15H12ClN3O2
Molecular Weight301.73 g/mol
Exact Mass301.06
IUPAC Name1-(4-chlorophenyl)-5-(furan-2-yl)-N-methylpyrazole-3-carboxamide
SMILESCNC(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C15H12ClN3O2/c1-17-15(20)12-9-13(14-3-2-8-21-14)19(18-12)11-6-4-10(16)5-7-11/h2-9H,1H3,(H,17,20)
InChIKeyRAVVCIMUJMDRMW-UHFFFAOYSA-N
XLogP3.15
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-(furan-2-yl)-N-methylpyrazole-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-5-(furan-2-yl)-N-methylpyrazole-3-carboxamide (CID 18155726) is 1-(4-chlorophenyl)-5-(furan-2-yl)-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-5-(furan-2-yl)-N-methylpyrazole-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-5-(furan-2-yl)-N-methylpyrazole-3-carboxamide is CNC(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 1-(4-chlorophenyl)-5-(furan-2-yl)-N-methylpyrazole-3-carboxamide?
The InChIKey is RAVVCIMUJMDRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2/c1-17-15(20)12-9-13(14-3-2-8-21-14)19(18-12)11-6-4-10(16)5-7-11/h2-9H,1H3,(H,17,20).
What are the key properties of 1-(4-chlorophenyl)-5-(furan-2-yl)-N-methylpyrazole-3-carboxamide?
1-(4-chlorophenyl)-5-(furan-2-yl)-N-methylpyrazole-3-carboxamide has a molecular weight of 301.73 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-(furan-2-yl)-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 18155726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).