N-[4-[(2-propan-2-ylpyrazol-3-yl)carbamoyl]phenyl]furan-2-carboxamide

C18H18N4O3 — CID 30183964

IUPACN-[4-[(2-propan-2-ylpyrazol-3-yl)carbamoyl]phenyl]furan-2-carboxamide
SMILESCC(C)n1nccc1NC(=O)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C18H18N4O3/c1-12(2)22-16(9-10-19-22)21-17(23)13-5-7-14(8-6-13)20-18(24)15-4-3-11-25-15/h3-12H,1-2H3,(H,20,24)(H,21,23)
InChIKeyZXPJLJKDWVSEPU-UHFFFAOYSA-N
MW338.37 g/mol
LogP3.56
Rot. Bonds5

About N-[4-[(2-propan-2-ylpyrazol-3-yl)carbamoyl]phenyl]furan-2-carboxamide

N-[4-[(2-propan-2-ylpyrazol-3-yl)carbamoyl]phenyl]furan-2-carboxamide (PubChem CID 30183964) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-[4-[(2-propan-2-ylpyrazol-3-yl)carbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-propan-2-ylpyrazol-3-yl)carbamoyl]phenyl]furan-2-carboxamide
PubChem CID30183964
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC NameN-[4-[(2-propan-2-ylpyrazol-3-yl)carbamoyl]phenyl]furan-2-carboxamide
SMILESCC(C)n1nccc1NC(=O)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C18H18N4O3/c1-12(2)22-16(9-10-19-22)21-17(23)13-5-7-14(8-6-13)20-18(24)15-4-3-11-25-15/h3-12H,1-2H3,(H,20,24)(H,21,23)
InChIKeyZXPJLJKDWVSEPU-UHFFFAOYSA-N
XLogP3.56
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(4-propan-2-ylbenzoyl)amino]phenyl]furan-2-carboxamide
CID 1114254
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[4-[(4-chlorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 823701
N-[4-(1-methoxypropan-2-ylcarbamoyl)phenyl]furan-2-carboxamide
CID 51219141
N-[4-(methylamino)phenyl]furan-2-carboxamide
CID 63091259
N-[4-[(2-methylphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 872367
N-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]phenyl]furan-2-carboxamide
CID 2300970
N-[4-[1-(4-propan-2-ylphenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 55388221
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 33327319
N-[4-[(3-fluoro-4-pyrazol-1-ylphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 55818858
N-[4-[(4-piperidin-1-ylphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 26243989
5-(methylamino)-N-(2-propan-2-ylpyrazol-3-yl)pyridine-2-carboxamide
CID 104639716

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-propan-2-ylpyrazol-3-yl)carbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[(2-propan-2-ylpyrazol-3-yl)carbamoyl]phenyl]furan-2-carboxamide (CID 30183964) is N-[4-[(2-propan-2-ylpyrazol-3-yl)carbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[(2-propan-2-ylpyrazol-3-yl)carbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[(2-propan-2-ylpyrazol-3-yl)carbamoyl]phenyl]furan-2-carboxamide is CC(C)n1nccc1NC(=O)c1ccc(NC(=O)c2ccco2)cc1.
What is the InChIKey of N-[4-[(2-propan-2-ylpyrazol-3-yl)carbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is ZXPJLJKDWVSEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-12(2)22-16(9-10-19-22)21-17(23)13-5-7-14(8-6-13)20-18(24)15-4-3-11-25-15/h3-12H,1-2H3,(H,20,24)(H,21,23).
What are the key properties of N-[4-[(2-propan-2-ylpyrazol-3-yl)carbamoyl]phenyl]furan-2-carboxamide?
N-[4-[(2-propan-2-ylpyrazol-3-yl)carbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-propan-2-ylpyrazol-3-yl)carbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 30183964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).