N-butyl-3-(furan-2-yl)-1-(3-methylphenyl)pyrazole-5-carboxamide

C19H21N3O2 — CID 3946312

IUPACN-butyl-3-(furan-2-yl)-1-(3-methylphenyl)pyrazole-5-carboxamide
SMILESCCCCNC(=O)c1cc(-c2ccco2)nn1-c1cccc(C)c1
InChIInChI=1S/C19H21N3O2/c1-3-4-10-20-19(23)17-13-16(18-9-6-11-24-18)21-22(17)15-8-5-7-14(2)12-15/h5-9,11-13H,3-4,10H2,1-2H3,(H,20,23)
InChIKeyNXBOGOGRVMRTJQ-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.97
Rot. Bonds6

About N-butyl-3-(furan-2-yl)-1-(3-methylphenyl)pyrazole-5-carboxamide

N-butyl-3-(furan-2-yl)-1-(3-methylphenyl)pyrazole-5-carboxamide (PubChem CID 3946312) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-butyl-3-(furan-2-yl)-1-(3-methylphenyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-butyl-3-(furan-2-yl)-1-(3-methylphenyl)pyrazole-5-carboxamide
PubChem CID3946312
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-butyl-3-(furan-2-yl)-1-(3-methylphenyl)pyrazole-5-carboxamide
SMILESCCCCNC(=O)c1cc(-c2ccco2)nn1-c1cccc(C)c1
InChIInChI=1S/C19H21N3O2/c1-3-4-10-20-19(23)17-13-16(18-9-6-11-24-18)21-22(17)15-8-5-7-14(2)12-15/h5-9,11-13H,3-4,10H2,1-2H3,(H,20,23)
InChIKeyNXBOGOGRVMRTJQ-UHFFFAOYSA-N
XLogP3.97
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.97
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

3-(furan-2-yl)-1-(3-methylphenyl)-N-propylpyrazole-5-carboxamide
CID 3661667
3-(furan-2-yl)-N-(2-methoxyethyl)-1-(3-methylphenyl)pyrazole-5-carboxamide
CID 42762387
N-butyl-1-(2,5-dimethylphenyl)-3-(furan-2-yl)pyrazole-5-carboxamide
CID 4003285
3-(furan-2-yl)-1-(3-methylphenyl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxamide
CID 1053861
3-(furan-2-yl)-1-(3-methylphenyl)-N-(2-piperidin-1-ium-1-ylethyl)pyrazole-5-carboxamide
CID 7413877
N-[2-(2,4-dichlorophenyl)ethyl]-3-(furan-2-yl)-1-(3-methylphenyl)pyrazole-5-carboxamide
CID 4309486
N-butyl-3-(2-fluorophenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide
CID 3928808
N-butyl-3-(2,4-dimethoxyphenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide
CID 42662540
[2-(butylamino)-2-oxoethyl] 3-(furan-2-yl)-1-phenylpyrazole-5-carboxylate
CID 55491371
1-(3-chlorophenyl)-3-(furan-2-yl)-N-(2-methylpropyl)pyrazole-5-carboxamide
CID 771691
1-(2,4-dimethylphenyl)-3-(furan-2-yl)-N-(3-methylbutyl)pyrazole-5-carboxamide
CID 1053825
1-(3-chlorophenyl)-3-(furan-2-yl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxamide
CID 1053514

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(furan-2-yl)-1-(3-methylphenyl)pyrazole-5-carboxamide?
The IUPAC name of N-butyl-3-(furan-2-yl)-1-(3-methylphenyl)pyrazole-5-carboxamide (CID 3946312) is N-butyl-3-(furan-2-yl)-1-(3-methylphenyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-butyl-3-(furan-2-yl)-1-(3-methylphenyl)pyrazole-5-carboxamide?
The canonical SMILES for N-butyl-3-(furan-2-yl)-1-(3-methylphenyl)pyrazole-5-carboxamide is CCCCNC(=O)c1cc(-c2ccco2)nn1-c1cccc(C)c1.
What is the InChIKey of N-butyl-3-(furan-2-yl)-1-(3-methylphenyl)pyrazole-5-carboxamide?
The InChIKey is NXBOGOGRVMRTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-3-4-10-20-19(23)17-13-16(18-9-6-11-24-18)21-22(17)15-8-5-7-14(2)12-15/h5-9,11-13H,3-4,10H2,1-2H3,(H,20,23).
What are the key properties of N-butyl-3-(furan-2-yl)-1-(3-methylphenyl)pyrazole-5-carboxamide?
N-butyl-3-(furan-2-yl)-1-(3-methylphenyl)pyrazole-5-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(furan-2-yl)-1-(3-methylphenyl)pyrazole-5-carboxamide is sourced from PubChem (CID 3946312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).