N-[4-(furan-2-yl)-4-oxobutan-2-yl]-5-methyl-1-phenylpyrazole-3-carboxamide

C19H19N3O3 — CID 71919540

IUPACN-[4-(furan-2-yl)-4-oxobutan-2-yl]-5-methyl-1-phenylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC(C)CC(=O)c2ccco2)nn1-c1ccccc1
InChIInChI=1S/C19H19N3O3/c1-13(11-17(23)18-9-6-10-25-18)20-19(24)16-12-14(2)22(21-16)15-7-4-3-5-8-15/h3-10,12-13H,11H2,1-2H3,(H,20,24)
InChIKeyHNBJTFQHKWRQNS-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.17
Rot. Bonds6

About N-[4-(furan-2-yl)-4-oxobutan-2-yl]-5-methyl-1-phenylpyrazole-3-carboxamide

N-[4-(furan-2-yl)-4-oxobutan-2-yl]-5-methyl-1-phenylpyrazole-3-carboxamide (PubChem CID 71919540) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[4-(furan-2-yl)-4-oxobutan-2-yl]-5-methyl-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(furan-2-yl)-4-oxobutan-2-yl]-5-methyl-1-phenylpyrazole-3-carboxamide
PubChem CID71919540
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-[4-(furan-2-yl)-4-oxobutan-2-yl]-5-methyl-1-phenylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC(C)CC(=O)c2ccco2)nn1-c1ccccc1
InChIInChI=1S/C19H19N3O3/c1-13(11-17(23)18-9-6-10-25-18)20-19(24)16-12-14(2)22(21-16)15-7-4-3-5-8-15/h3-10,12-13H,11H2,1-2H3,(H,20,24)
InChIKeyHNBJTFQHKWRQNS-UHFFFAOYSA-N
XLogP3.17
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-(furan-2-yl)-4-oxobutan-2-yl]-5-methyl-1-phenylpyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(furan-2-yl)-2-oxoethyl]-5-methyl-1-(4-methylphenyl)pyrazole-3-carboxamide
CID 86788589
5-methyl-N-(3-methyl-2-oxobutyl)-1-phenylpyrazole-3-carboxamide
CID 142965517
4-(dimethylamino)-N-[4-(furan-2-yl)-4-oxobutan-2-yl]pyridine-2-carboxamide
CID 86801279
N-[(2S)-4-(furan-2-yl)-4-oxobutan-2-yl]-6-pyrazol-1-ylpyridine-2-carboxamide
CID 97086539
5-methyl-1-phenyl-N-(2,2,2-trifluoro-1-phenylethyl)pyrazole-3-carboxamide
CID 55794460
1-(3-fluorophenyl)-N-[1-(furan-2-yl)-2-hydroxyethyl]-5-methylpyrazole-3-carboxamide
CID 110001487
N-(4-hydroxy-2-methylpentyl)-5-methyl-1-phenylpyrazole-3-carboxamide
CID 111447022
5-methyl-1-phenylpyrazole-3-carboxylic acid
CID 698388
N-(1-amino-1-oxopent-4-yn-2-yl)-5-methyl-1-phenylpyrazole-3-carboxamide
CID 71908786
5-methyl-N-(1-oxo-3-phenylpropan-2-yl)-1-phenylpyrazole-3-carboxamide;5-methyl-N-(1-oxo-3-phenylpropan-2-yl)-2-phenylpyrazole-3-carboxamide
CID 142317142
3-bromo-N-[(2S)-4-(furan-2-yl)-4-oxobutan-2-yl]furan-2-carboxamide
CID 124591402
N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]furan-2-carboxamide
CID 40840974

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)-4-oxobutan-2-yl]-5-methyl-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-[4-(furan-2-yl)-4-oxobutan-2-yl]-5-methyl-1-phenylpyrazole-3-carboxamide (CID 71919540) is N-[4-(furan-2-yl)-4-oxobutan-2-yl]-5-methyl-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-[4-(furan-2-yl)-4-oxobutan-2-yl]-5-methyl-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-[4-(furan-2-yl)-4-oxobutan-2-yl]-5-methyl-1-phenylpyrazole-3-carboxamide is Cc1cc(C(=O)NC(C)CC(=O)c2ccco2)nn1-c1ccccc1.
What is the InChIKey of N-[4-(furan-2-yl)-4-oxobutan-2-yl]-5-methyl-1-phenylpyrazole-3-carboxamide?
The InChIKey is HNBJTFQHKWRQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-13(11-17(23)18-9-6-10-25-18)20-19(24)16-12-14(2)22(21-16)15-7-4-3-5-8-15/h3-10,12-13H,11H2,1-2H3,(H,20,24).
What are the key properties of N-[4-(furan-2-yl)-4-oxobutan-2-yl]-5-methyl-1-phenylpyrazole-3-carboxamide?
N-[4-(furan-2-yl)-4-oxobutan-2-yl]-5-methyl-1-phenylpyrazole-3-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)-4-oxobutan-2-yl]-5-methyl-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 71919540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).