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

C18H19N3O2 — CID 3661667

IUPAC3-(furan-2-yl)-1-(3-methylphenyl)-N-propylpyrazole-5-carboxamide
SMILESCCCNC(=O)c1cc(-c2ccco2)nn1-c1cccc(C)c1
InChIInChI=1S/C18H19N3O2/c1-3-9-19-18(22)16-12-15(17-8-5-10-23-17)20-21(16)14-7-4-6-13(2)11-14/h4-8,10-12H,3,9H2,1-2H3,(H,19,22)
InChIKeyXCSPETHKGCWNQP-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.58
Rot. Bonds5

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

3-(furan-2-yl)-1-(3-methylphenyl)-N-propylpyrazole-5-carboxamide (PubChem CID 3661667) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-(furan-2-yl)-1-(3-methylphenyl)-N-propylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(furan-2-yl)-1-(3-methylphenyl)-N-propylpyrazole-5-carboxamide
PubChem CID3661667
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name3-(furan-2-yl)-1-(3-methylphenyl)-N-propylpyrazole-5-carboxamide
SMILESCCCNC(=O)c1cc(-c2ccco2)nn1-c1cccc(C)c1
InChIInChI=1S/C18H19N3O2/c1-3-9-19-18(22)16-12-15(17-8-5-10-23-17)20-21(16)14-7-4-6-13(2)11-14/h4-8,10-12H,3,9H2,1-2H3,(H,19,22)
InChIKeyXCSPETHKGCWNQP-UHFFFAOYSA-N
XLogP3.58
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-3-(furan-2-yl)-1-(3-methylphenyl)pyrazole-5-carboxamide
CID 3946312
3-(furan-2-yl)-N-(2-methoxyethyl)-1-(3-methylphenyl)pyrazole-5-carboxamide
CID 42762387
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-1-(2,5-dimethylphenyl)-3-(furan-2-yl)pyrazole-5-carboxamide
CID 4003285
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
1-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-3-(furan-2-yl)pyrazole-5-carboxamide
CID 1053559
1-(3-chlorophenyl)-3-(furan-2-yl)-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide
CID 1053520
3-(furan-2-yl)-N-(2-hydroxypropyl)-1-phenylpyrazole-5-carboxamide
CID 78855996

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-1-(3-methylphenyl)-N-propylpyrazole-5-carboxamide?
The IUPAC name of 3-(furan-2-yl)-1-(3-methylphenyl)-N-propylpyrazole-5-carboxamide (CID 3661667) is 3-(furan-2-yl)-1-(3-methylphenyl)-N-propylpyrazole-5-carboxamide.
What is the SMILES notation for 3-(furan-2-yl)-1-(3-methylphenyl)-N-propylpyrazole-5-carboxamide?
The canonical SMILES for 3-(furan-2-yl)-1-(3-methylphenyl)-N-propylpyrazole-5-carboxamide is CCCNC(=O)c1cc(-c2ccco2)nn1-c1cccc(C)c1.
What is the InChIKey of 3-(furan-2-yl)-1-(3-methylphenyl)-N-propylpyrazole-5-carboxamide?
The InChIKey is XCSPETHKGCWNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-3-9-19-18(22)16-12-15(17-8-5-10-23-17)20-21(16)14-7-4-6-13(2)11-14/h4-8,10-12H,3,9H2,1-2H3,(H,19,22).
What are the key properties of 3-(furan-2-yl)-1-(3-methylphenyl)-N-propylpyrazole-5-carboxamide?
3-(furan-2-yl)-1-(3-methylphenyl)-N-propylpyrazole-5-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-1-(3-methylphenyl)-N-propylpyrazole-5-carboxamide is sourced from PubChem (CID 3661667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).