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

C18H17ClFN3O2 — CID 5095529

IUPAC5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
SMILESCc1nn(Cc2ccc(C(=O)NCc3ccc(F)cc3)o2)c(C)c1Cl
InChIInChI=1S/C18H17ClFN3O2/c1-11-17(19)12(2)23(22-11)10-15-7-8-16(25-15)18(24)21-9-13-3-5-14(20)6-4-13/h3-8H,9-10H2,1-2H3,(H,21,24)
InChIKeyZPBHINXSDJKKCY-UHFFFAOYSA-N
MW361.80 g/mol
LogP3.86
Rot. Bonds5

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

5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide (PubChem CID 5095529) has the molecular formula C18H17ClFN3O2 and a molecular weight of 361.80 g/mol. Its IUPAC name is 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
PubChem CID5095529
Molecular FormulaC18H17ClFN3O2
Molecular Weight361.80 g/mol
Exact Mass361.10
IUPAC Name5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
SMILESCc1nn(Cc2ccc(C(=O)NCc3ccc(F)cc3)o2)c(C)c1Cl
InChIInChI=1S/C18H17ClFN3O2/c1-11-17(19)12(2)23(22-11)10-15-7-8-16(25-15)18(24)21-9-13-3-5-14(20)6-4-13/h3-8H,9-10H2,1-2H3,(H,21,24)
InChIKeyZPBHINXSDJKKCY-UHFFFAOYSA-N
XLogP3.86
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.80
LogP ≤ 53.86
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-[(4-fluorophenyl)methyl]furan-2-carboxamide?
The IUPAC name of 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide (CID 5095529) is 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide is Cc1nn(Cc2ccc(C(=O)NCc3ccc(F)cc3)o2)c(C)c1Cl.
What is the InChIKey of 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide?
The InChIKey is ZPBHINXSDJKKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFN3O2/c1-11-17(19)12(2)23(22-11)10-15-7-8-16(25-15)18(24)21-9-13-3-5-14(20)6-4-13/h3-8H,9-10H2,1-2H3,(H,21,24).
What are the key properties of 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide?
5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide has a molecular weight of 361.80 g/mol, XLogP of 3.86, 5 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-[(4-fluorophenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 5095529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).