5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(3,5-dimethylphenyl)furan-2-carboxamide

C19H20ClN3O2 — CID 994876

IUPAC5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(3,5-dimethylphenyl)furan-2-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2ccc(Cn3nc(C)c(Cl)c3C)o2)c1
InChIInChI=1S/C19H20ClN3O2/c1-11-7-12(2)9-15(8-11)21-19(24)17-6-5-16(25-17)10-23-14(4)18(20)13(3)22-23/h5-9H,10H2,1-4H3,(H,21,24)
InChIKeyAWEXFOKWMZWMRE-UHFFFAOYSA-N
MW357.84 g/mol
LogP4.66
Rot. Bonds4

About 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(3,5-dimethylphenyl)furan-2-carboxamide

5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(3,5-dimethylphenyl)furan-2-carboxamide (PubChem CID 994876) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(3,5-dimethylphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(3,5-dimethylphenyl)furan-2-carboxamide
PubChem CID994876
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC Name5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(3,5-dimethylphenyl)furan-2-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2ccc(Cn3nc(C)c(Cl)c3C)o2)c1
InChIInChI=1S/C19H20ClN3O2/c1-11-7-12(2)9-15(8-11)21-19(24)17-6-5-16(25-17)10-23-14(4)18(20)13(3)22-23/h5-9H,10H2,1-4H3,(H,21,24)
InChIKeyAWEXFOKWMZWMRE-UHFFFAOYSA-N
XLogP4.66
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(3,5-dimethylphenyl)furan-2-carboxamide?
The IUPAC name of 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(3,5-dimethylphenyl)furan-2-carboxamide (CID 994876) is 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(3,5-dimethylphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(3,5-dimethylphenyl)furan-2-carboxamide?
The canonical SMILES for 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(3,5-dimethylphenyl)furan-2-carboxamide is Cc1cc(C)cc(NC(=O)c2ccc(Cn3nc(C)c(Cl)c3C)o2)c1.
What is the InChIKey of 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(3,5-dimethylphenyl)furan-2-carboxamide?
The InChIKey is AWEXFOKWMZWMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2/c1-11-7-12(2)9-15(8-11)21-19(24)17-6-5-16(25-17)10-23-14(4)18(20)13(3)22-23/h5-9H,10H2,1-4H3,(H,21,24).
What are the key properties of 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(3,5-dimethylphenyl)furan-2-carboxamide?
5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(3,5-dimethylphenyl)furan-2-carboxamide has a molecular weight of 357.84 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(3,5-dimethylphenyl)furan-2-carboxamide is sourced from PubChem (CID 994876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).