N-(3-tert-butyl-1-phenylpyrazol-5-yl)furan-2-carboxamide

C18H19N3O2 — CID 2473696

IUPACN-(3-tert-butyl-1-phenylpyrazol-5-yl)furan-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)c2ccco2)n(-c2ccccc2)n1
InChIInChI=1S/C18H19N3O2/c1-18(2,3)15-12-16(19-17(22)14-10-7-11-23-14)21(20-15)13-8-5-4-6-9-13/h4-12H,1-3H3,(H,19,22)
InChIKeyAXZMSBVFPLGLRW-UHFFFAOYSA-N
MW309.37 g/mol
LogP4.02
Rot. Bonds3

About N-(3-tert-butyl-1-phenylpyrazol-5-yl)furan-2-carboxamide

N-(3-tert-butyl-1-phenylpyrazol-5-yl)furan-2-carboxamide (PubChem CID 2473696) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-(3-tert-butyl-1-phenylpyrazol-5-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1-phenylpyrazol-5-yl)furan-2-carboxamide
PubChem CID2473696
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-(3-tert-butyl-1-phenylpyrazol-5-yl)furan-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)c2ccco2)n(-c2ccccc2)n1
InChIInChI=1S/C18H19N3O2/c1-18(2,3)15-12-16(19-17(22)14-10-7-11-23-14)21(20-15)13-8-5-4-6-9-13/h4-12H,1-3H3,(H,19,22)
InChIKeyAXZMSBVFPLGLRW-UHFFFAOYSA-N
XLogP4.02
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-methoxybenzamide
CID 42730468
N-[5-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 56550790
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2,3-dichlorobenzamide
CID 46088066
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-chloro-2,2-dimethylpropanamide
CID 42730449
N-[1-(4-bromophenyl)-3-tert-butylpyrazol-5-yl]-2-phenylacetamide
CID 46087859
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-phenylsulfanylacetamide
CID 4259022
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 4855635
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 5026370
2-[benzyl(ethylcarbamoyl)amino]-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide
CID 42740988
N-[3-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-1-phenylpyrazol-5-yl]furan-2-carboxamide
CID 2323889
2-[benzyl(dimethylcarbamoyl)amino]-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide
CID 42740945
N-benzyl-N-[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]propanamide
CID 1060840

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1-phenylpyrazol-5-yl)furan-2-carboxamide?
The IUPAC name of N-(3-tert-butyl-1-phenylpyrazol-5-yl)furan-2-carboxamide (CID 2473696) is N-(3-tert-butyl-1-phenylpyrazol-5-yl)furan-2-carboxamide.
What is the SMILES notation for N-(3-tert-butyl-1-phenylpyrazol-5-yl)furan-2-carboxamide?
The canonical SMILES for N-(3-tert-butyl-1-phenylpyrazol-5-yl)furan-2-carboxamide is CC(C)(C)c1cc(NC(=O)c2ccco2)n(-c2ccccc2)n1.
What is the InChIKey of N-(3-tert-butyl-1-phenylpyrazol-5-yl)furan-2-carboxamide?
The InChIKey is AXZMSBVFPLGLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-18(2,3)15-12-16(19-17(22)14-10-7-11-23-14)21(20-15)13-8-5-4-6-9-13/h4-12H,1-3H3,(H,19,22).
What are the key properties of N-(3-tert-butyl-1-phenylpyrazol-5-yl)furan-2-carboxamide?
N-(3-tert-butyl-1-phenylpyrazol-5-yl)furan-2-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1-phenylpyrazol-5-yl)furan-2-carboxamide is sourced from PubChem (CID 2473696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).