3-(furan-2-yl)-1-(3-methylphenyl)-N-(2-piperidin-1-ium-1-ylethyl)pyrazole-5-carboxamide

C22H27N4O2+ — CID 7413877

IUPAC3-(furan-2-yl)-1-(3-methylphenyl)-N-(2-piperidin-1-ium-1-ylethyl)pyrazole-5-carboxamide
SMILESCc1cccc(-n2nc(-c3ccco3)cc2C(=O)NCC[NH+]2CCCCC2)c1
InChIInChI=1S/C22H26N4O2/c1-17-7-5-8-18(15-17)26-20(16-19(24-26)21-9-6-14-28-21)22(27)23-10-13-25-11-3-2-4-12-25/h5-9,14-16H,2-4,10-13H2,1H3,(H,23,27)/p+1
InChIKeyFIUZGBUFRUSHTQ-UHFFFAOYSA-O
MW379.48 g/mol
LogP2.24
Rot. Bonds6

About 3-(furan-2-yl)-1-(3-methylphenyl)-N-(2-piperidin-1-ium-1-ylethyl)pyrazole-5-carboxamide

3-(furan-2-yl)-1-(3-methylphenyl)-N-(2-piperidin-1-ium-1-ylethyl)pyrazole-5-carboxamide (PubChem CID 7413877) has the molecular formula C22H27N4O2+ and a molecular weight of 379.48 g/mol. Its IUPAC name is 3-(furan-2-yl)-1-(3-methylphenyl)-N-(2-piperidin-1-ium-1-ylethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(furan-2-yl)-1-(3-methylphenyl)-N-(2-piperidin-1-ium-1-ylethyl)pyrazole-5-carboxamide
PubChem CID7413877
Molecular FormulaC22H27N4O2+
Molecular Weight379.48 g/mol
Exact Mass379.21
IUPAC Name3-(furan-2-yl)-1-(3-methylphenyl)-N-(2-piperidin-1-ium-1-ylethyl)pyrazole-5-carboxamide
SMILESCc1cccc(-n2nc(-c3ccco3)cc2C(=O)NCC[NH+]2CCCCC2)c1
InChIInChI=1S/C22H26N4O2/c1-17-7-5-8-18(15-17)26-20(16-19(24-26)21-9-6-14-28-21)22(27)23-10-13-25-11-3-2-4-12-25/h5-9,14-16H,2-4,10-13H2,1H3,(H,23,27)/p+1
InChIKeyFIUZGBUFRUSHTQ-UHFFFAOYSA-O
XLogP2.24
TPSA64.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(furan-2-yl)-1-(3-methylphenyl)-N-propylpyrazole-5-carboxamide
CID 3661667
3-(furan-2-yl)-1-(3-methylphenyl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxamide
CID 1053861
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-(4-fluorophenyl)-1-(3-methylphenyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrazole-5-carboxamide
CID 7499258
3-(furan-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-1-(3-nitrophenyl)pyrazole-5-carboxamide
CID 6961782
N-[2-(2,4-dichlorophenyl)ethyl]-3-(furan-2-yl)-1-(3-methylphenyl)pyrazole-5-carboxamide
CID 4309486
1-(3-chlorophenyl)-3-(furan-2-yl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxamide
CID 1053514
3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrazole-5-carboxamide
CID 7397387
1-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-3-(furan-2-yl)pyrazole-5-carboxamide
CID 1053559
(2,6-dimethylmorpholin-4-yl)-[3-(furan-2-yl)-1-(3-methylphenyl)pyrazol-5-yl]methanone
CID 5233267
1-(3-chlorophenyl)-3-(furan-2-yl)-N-(2-methylpropyl)pyrazole-5-carboxamide
CID 771691

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-1-(3-methylphenyl)-N-(2-piperidin-1-ium-1-ylethyl)pyrazole-5-carboxamide?
The IUPAC name of 3-(furan-2-yl)-1-(3-methylphenyl)-N-(2-piperidin-1-ium-1-ylethyl)pyrazole-5-carboxamide (CID 7413877) is 3-(furan-2-yl)-1-(3-methylphenyl)-N-(2-piperidin-1-ium-1-ylethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 3-(furan-2-yl)-1-(3-methylphenyl)-N-(2-piperidin-1-ium-1-ylethyl)pyrazole-5-carboxamide?
The canonical SMILES for 3-(furan-2-yl)-1-(3-methylphenyl)-N-(2-piperidin-1-ium-1-ylethyl)pyrazole-5-carboxamide is Cc1cccc(-n2nc(-c3ccco3)cc2C(=O)NCC[NH+]2CCCCC2)c1.
What is the InChIKey of 3-(furan-2-yl)-1-(3-methylphenyl)-N-(2-piperidin-1-ium-1-ylethyl)pyrazole-5-carboxamide?
The InChIKey is FIUZGBUFRUSHTQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H26N4O2/c1-17-7-5-8-18(15-17)26-20(16-19(24-26)21-9-6-14-28-21)22(27)23-10-13-25-11-3-2-4-12-25/h5-9,14-16H,2-4,10-13H2,1H3,(H,23,27)/p+1.
What are the key properties of 3-(furan-2-yl)-1-(3-methylphenyl)-N-(2-piperidin-1-ium-1-ylethyl)pyrazole-5-carboxamide?
3-(furan-2-yl)-1-(3-methylphenyl)-N-(2-piperidin-1-ium-1-ylethyl)pyrazole-5-carboxamide has a molecular weight of 379.48 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 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-(2-piperidin-1-ium-1-ylethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 7413877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).