N-[2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-3-(2,5-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide

C24H26N6O5 — CID 121116293

IUPACN-[2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-3-(2,5-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide
SMILESCOc1ccc(OC)c(-c2cc(C(=O)NCCn3nc(-c4ccco4)n(C4CC4)c3=O)n(C)n2)c1
InChIInChI=1S/C24H26N6O5/c1-28-19(14-18(26-28)17-13-16(33-2)8-9-20(17)34-3)23(31)25-10-11-29-24(32)30(15-6-7-15)22(27-29)21-5-4-12-35-21/h4-5,8-9,12-15H,6-7,10-11H2,1-3H3,(H,25,31)
InChIKeyXPPMZWNNCBSSGN-UHFFFAOYSA-N
MW478.51 g/mol
LogP2.49
Rot. Bonds9

About N-[2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-3-(2,5-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide

N-[2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-3-(2,5-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide (PubChem CID 121116293) has the molecular formula C24H26N6O5 and a molecular weight of 478.51 g/mol. Its IUPAC name is N-[2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-3-(2,5-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-3-(2,5-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide
PubChem CID121116293
Molecular FormulaC24H26N6O5
Molecular Weight478.51 g/mol
Exact Mass478.20
IUPAC NameN-[2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-3-(2,5-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide
SMILESCOc1ccc(OC)c(-c2cc(C(=O)NCCn3nc(-c4ccco4)n(C4CC4)c3=O)n(C)n2)c1
InChIInChI=1S/C24H26N6O5/c1-28-19(14-18(26-28)17-13-16(33-2)8-9-20(17)34-3)23(31)25-10-11-29-24(32)30(15-6-7-15)22(27-29)21-5-4-12-35-21/h4-5,8-9,12-15H,6-7,10-11H2,1-3H3,(H,25,31)
InChIKeyXPPMZWNNCBSSGN-UHFFFAOYSA-N
XLogP2.49
TPSA118.34 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.51
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

N-[2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 121116137
N-[2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-2-propylpentanamide
CID 121116164
4-cyclopropyl-5-(furan-2-yl)-2-[2-(4-methoxyphenyl)-2-oxoethyl]-1,2,4-triazol-3-one
CID 71793579
N-[2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-2-(3-methylphenyl)acetamide
CID 121116243
N-[2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-3-methylbutanamide
CID 121116161
N-(cyclohexylmethyl)-3-(2,5-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 121083958
3-(2,5-dimethoxyphenyl)-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-1-methylpyrazole-5-carboxamide
CID 121120921
2-(4-chlorophenyl)-N-[2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]ethyl]acetamide
CID 121116241
1-[2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-3-(3,4-dichlorophenyl)urea
CID 121116320
3-(2,5-dimethoxyphenyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
CID 121083972
3-(2,5-dimethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]-1-methylpyrazole-5-carboxamide
CID 121084117
[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-[7-(furan-2-yl)-1,4-thiazepan-4-yl]methanone
CID 90632249

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-3-(2,5-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-[2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-3-(2,5-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide (CID 121116293) is N-[2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-3-(2,5-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-[2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-3-(2,5-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-[2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-3-(2,5-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide is COc1ccc(OC)c(-c2cc(C(=O)NCCn3nc(-c4ccco4)n(C4CC4)c3=O)n(C)n2)c1.
What is the InChIKey of N-[2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-3-(2,5-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide?
The InChIKey is XPPMZWNNCBSSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O5/c1-28-19(14-18(26-28)17-13-16(33-2)8-9-20(17)34-3)23(31)25-10-11-29-24(32)30(15-6-7-15)22(27-29)21-5-4-12-35-21/h4-5,8-9,12-15H,6-7,10-11H2,1-3H3,(H,25,31).
What are the key properties of N-[2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-3-(2,5-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide?
N-[2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-3-(2,5-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide has a molecular weight of 478.51 g/mol, XLogP of 2.49, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-3-(2,5-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 121116293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).