N-(1-benzylpyrazol-3-yl)-3-(5-ethylfuran-2-yl)propanamide

C19H21N3O2 — CID 126420955

IUPACN-(1-benzylpyrazol-3-yl)-3-(5-ethylfuran-2-yl)propanamide
SMILESCCc1ccc(CCC(=O)Nc2ccn(Cc3ccccc3)n2)o1
InChIInChI=1S/C19H21N3O2/c1-2-16-8-9-17(24-16)10-11-19(23)20-18-12-13-22(21-18)14-15-6-4-3-5-7-15/h3-9,12-13H,2,10-11,14H2,1H3,(H,20,21,23)
InChIKeyKPMMZKDSUVMWBE-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.66
Rot. Bonds7

About N-(1-benzylpyrazol-3-yl)-3-(5-ethylfuran-2-yl)propanamide

N-(1-benzylpyrazol-3-yl)-3-(5-ethylfuran-2-yl)propanamide (PubChem CID 126420955) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-(1-benzylpyrazol-3-yl)-3-(5-ethylfuran-2-yl)propanamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-3-yl)-3-(5-ethylfuran-2-yl)propanamide
PubChem CID126420955
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-(1-benzylpyrazol-3-yl)-3-(5-ethylfuran-2-yl)propanamide
SMILESCCc1ccc(CCC(=O)Nc2ccn(Cc3ccccc3)n2)o1
InChIInChI=1S/C19H21N3O2/c1-2-16-8-9-17(24-16)10-11-19(23)20-18-12-13-22(21-18)14-15-6-4-3-5-7-15/h3-9,12-13H,2,10-11,14H2,1H3,(H,20,21,23)
InChIKeyKPMMZKDSUVMWBE-UHFFFAOYSA-N
XLogP3.66
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-phenylpropanamide
CID 19283649
N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-phenylpropanamide
CID 19403070
N,N'-bis(1-benzylpyrazol-3-yl)-3-methylhexanediamide
CID 112837683
N-(1-benzylpyrazol-3-yl)-4-ethylbenzamide
CID 19286300
N-(1-benzylpyrazol-3-yl)-4-(2,5-dimethylthiophen-3-yl)butanamide
CID 126421675
2-[3-[3-(4-ethylphenyl)propanoylamino]pyrazol-1-yl]acetic acid
CID 119230901
N-[2-[(1-benzylpyrazol-3-yl)amino]-2-oxoethyl]benzamide
CID 47066196
1-(1-benzylpyrazol-3-yl)-3-(2-ethylphenyl)thiourea
CID 17268305
N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]butanamide
CID 19404982
N-(1-benzylpyrazol-3-yl)-3-(4-bromo-5-methylpyrazol-1-yl)propanamide
CID 19286226
N-(1-benzylpyrazol-3-yl)-2-(4-chloro-3-methylpyrazol-1-yl)acetamide
CID 4773521
N-(1-benzylpyrazol-3-yl)-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19286166

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-3-yl)-3-(5-ethylfuran-2-yl)propanamide?
The IUPAC name of N-(1-benzylpyrazol-3-yl)-3-(5-ethylfuran-2-yl)propanamide (CID 126420955) is N-(1-benzylpyrazol-3-yl)-3-(5-ethylfuran-2-yl)propanamide.
What is the SMILES notation for N-(1-benzylpyrazol-3-yl)-3-(5-ethylfuran-2-yl)propanamide?
The canonical SMILES for N-(1-benzylpyrazol-3-yl)-3-(5-ethylfuran-2-yl)propanamide is CCc1ccc(CCC(=O)Nc2ccn(Cc3ccccc3)n2)o1.
What is the InChIKey of N-(1-benzylpyrazol-3-yl)-3-(5-ethylfuran-2-yl)propanamide?
The InChIKey is KPMMZKDSUVMWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-2-16-8-9-17(24-16)10-11-19(23)20-18-12-13-22(21-18)14-15-6-4-3-5-7-15/h3-9,12-13H,2,10-11,14H2,1H3,(H,20,21,23).
What are the key properties of N-(1-benzylpyrazol-3-yl)-3-(5-ethylfuran-2-yl)propanamide?
N-(1-benzylpyrazol-3-yl)-3-(5-ethylfuran-2-yl)propanamide has a molecular weight of 323.40 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-3-yl)-3-(5-ethylfuran-2-yl)propanamide is sourced from PubChem (CID 126420955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).