3-(5-methylfuran-2-yl)-N-pentyl-1-phenylpyrazole-5-carboxamide

C20H23N3O2 — CID 42759443

IUPAC3-(5-methylfuran-2-yl)-N-pentyl-1-phenylpyrazole-5-carboxamide
SMILESCCCCCNC(=O)c1cc(-c2ccc(C)o2)nn1-c1ccccc1
InChIInChI=1S/C20H23N3O2/c1-3-4-8-13-21-20(24)18-14-17(19-12-11-15(2)25-19)22-23(18)16-9-6-5-7-10-16/h5-7,9-12,14H,3-4,8,13H2,1-2H3,(H,21,24)
InChIKeyGCXPBUAXDQGDPZ-UHFFFAOYSA-N
MW337.42 g/mol
LogP4.36
Rot. Bonds7

About 3-(5-methylfuran-2-yl)-N-pentyl-1-phenylpyrazole-5-carboxamide

3-(5-methylfuran-2-yl)-N-pentyl-1-phenylpyrazole-5-carboxamide (PubChem CID 42759443) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 3-(5-methylfuran-2-yl)-N-pentyl-1-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(5-methylfuran-2-yl)-N-pentyl-1-phenylpyrazole-5-carboxamide
PubChem CID42759443
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name3-(5-methylfuran-2-yl)-N-pentyl-1-phenylpyrazole-5-carboxamide
SMILESCCCCCNC(=O)c1cc(-c2ccc(C)o2)nn1-c1ccccc1
InChIInChI=1S/C20H23N3O2/c1-3-4-8-13-21-20(24)18-14-17(19-12-11-15(2)25-19)22-23(18)16-9-6-5-7-10-16/h5-7,9-12,14H,3-4,8,13H2,1-2H3,(H,21,24)
InChIKeyGCXPBUAXDQGDPZ-UHFFFAOYSA-N
XLogP4.36
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-hexyl-1-methyl-3-(5-methylfuran-2-yl)pyrazole-5-carboxamide
CID 42759616
3-(3,4-dimethylphenyl)-N-pentyl-1-phenylpyrazole-5-carboxamide
CID 4274555
N-[(2S)-butan-2-yl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-5-carboxamide
CID 812311
3-(2-fluorophenyl)-N-pentyl-1-phenylpyrazole-5-carboxamide
CID 4218340
1-(4-methylphenyl)-N-pentyl-3-phenylpyrazole-5-carboxamide
CID 42754567
3-(5-methylfuran-2-yl)-1-phenylpyrazole-5-carboxylic acid
CID 812110
N-butyl-3-(3,4-dimethylphenyl)-1-phenylpyrazole-5-carboxamide
CID 4005043
diethyl-[(4R)-4-[[3-(5-methylfuran-2-yl)-1-phenylpyrazole-5-carbonyl]amino]pentyl]azanium
CID 7373893
3-(5-methylfuran-2-yl)-1-phenyl-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide
CID 4654374
1-(3-chlorophenyl)-3-(5-methylfuran-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazole-5-carboxamide
CID 3514821
3-(3,4-dimethylphenyl)-1-phenyl-N-propylpyrazole-5-carboxamide
CID 42754882
N-butyl-3-(furan-2-yl)-1-(3-methylphenyl)pyrazole-5-carboxamide
CID 3946312

Frequently Asked Questions

What is the IUPAC name of 3-(5-methylfuran-2-yl)-N-pentyl-1-phenylpyrazole-5-carboxamide?
The IUPAC name of 3-(5-methylfuran-2-yl)-N-pentyl-1-phenylpyrazole-5-carboxamide (CID 42759443) is 3-(5-methylfuran-2-yl)-N-pentyl-1-phenylpyrazole-5-carboxamide.
What is the SMILES notation for 3-(5-methylfuran-2-yl)-N-pentyl-1-phenylpyrazole-5-carboxamide?
The canonical SMILES for 3-(5-methylfuran-2-yl)-N-pentyl-1-phenylpyrazole-5-carboxamide is CCCCCNC(=O)c1cc(-c2ccc(C)o2)nn1-c1ccccc1.
What is the InChIKey of 3-(5-methylfuran-2-yl)-N-pentyl-1-phenylpyrazole-5-carboxamide?
The InChIKey is GCXPBUAXDQGDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-3-4-8-13-21-20(24)18-14-17(19-12-11-15(2)25-19)22-23(18)16-9-6-5-7-10-16/h5-7,9-12,14H,3-4,8,13H2,1-2H3,(H,21,24).
What are the key properties of 3-(5-methylfuran-2-yl)-N-pentyl-1-phenylpyrazole-5-carboxamide?
3-(5-methylfuran-2-yl)-N-pentyl-1-phenylpyrazole-5-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylfuran-2-yl)-N-pentyl-1-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 42759443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).