N-[2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole-5-carboxamide

C25H27N7O5 — CID 121116559

IUPACN-[2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1cc(-c2cc(C(=O)NCCn3nc(-c4cccnc4)n(C4CC4)c3=O)[nH]n2)cc(OC)c1OC
InChIInChI=1S/C25H27N7O5/c1-35-20-11-16(12-21(36-2)22(20)37-3)18-13-19(29-28-18)24(33)27-9-10-31-25(34)32(17-6-7-17)23(30-31)15-5-4-8-26-14-15/h4-5,8,11-14,17H,6-7,9-10H2,1-3H3,(H,27,33)(H,28,29)
InChIKeyGRNKERPLBOTFIB-UHFFFAOYSA-N
MW505.54 g/mol
LogP2.29
Rot. Bonds10

About N-[2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole-5-carboxamide

N-[2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 121116559) has the molecular formula C25H27N7O5 and a molecular weight of 505.54 g/mol. Its IUPAC name is N-[2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole-5-carboxamide
PubChem CID121116559
Molecular FormulaC25H27N7O5
Molecular Weight505.54 g/mol
Exact Mass505.21
IUPAC NameN-[2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1cc(-c2cc(C(=O)NCCn3nc(-c4cccnc4)n(C4CC4)c3=O)[nH]n2)cc(OC)c1OC
InChIInChI=1S/C25H27N7O5/c1-35-20-11-16(12-21(36-2)22(20)37-3)18-13-19(29-28-18)24(33)27-9-10-31-25(34)32(17-6-7-17)23(30-31)15-5-4-8-26-14-15/h4-5,8,11-14,17H,6-7,9-10H2,1-3H3,(H,27,33)(H,28,29)
InChIKeyGRNKERPLBOTFIB-UHFFFAOYSA-N
XLogP2.29
TPSA138.18 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.54
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole-5-carboxamide with MolForge

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Related Compounds

N-[2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 121116474
N-[2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 121116486
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-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-2-ethoxybenzamide
CID 121116427
1-[2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-3-(2,4-dimethoxyphenyl)urea
CID 121116590
N-[2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-2-methylbenzamide
CID 121116419
N-[2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-4-ethoxybenzamide
CID 121116428
1-[2-(4-cyclopropyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 121078008
N-[2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]furan-2-carboxamide
CID 121116503
1-[2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 121116601
N-[2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-3,5-bis(trifluoromethyl)benzamide
CID 121116463
5-bromo-2-chloro-N-[2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]benzamide
CID 121116451

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole-5-carboxamide (CID 121116559) is N-[2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole-5-carboxamide is COc1cc(-c2cc(C(=O)NCCn3nc(-c4cccnc4)n(C4CC4)c3=O)[nH]n2)cc(OC)c1OC.
What is the InChIKey of N-[2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is GRNKERPLBOTFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O5/c1-35-20-11-16(12-21(36-2)22(20)37-3)18-13-19(29-28-18)24(33)27-9-10-31-25(34)32(17-6-7-17)23(30-31)15-5-4-8-26-14-15/h4-5,8,11-14,17H,6-7,9-10H2,1-3H3,(H,27,33)(H,28,29).
What are the key properties of N-[2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole-5-carboxamide?
N-[2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 505.54 g/mol, XLogP of 2.29, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 121116559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).