3-(1,3-benzodioxol-5-yl)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-1H-pyrazole-5-carboxamide

C19H19N5O4 — CID 71795159

IUPAC3-(1,3-benzodioxol-5-yl)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-1H-pyrazole-5-carboxamide
SMILESCCc1cc(=O)n(CCNC(=O)c2cc(-c3ccc4c(c3)OCO4)n[nH]2)cn1
InChIInChI=1S/C19H19N5O4/c1-2-13-8-18(25)24(10-21-13)6-5-20-19(26)15-9-14(22-23-15)12-3-4-16-17(7-12)28-11-27-16/h3-4,7-10H,2,5-6,11H2,1H3,(H,20,26)(H,22,23)
InChIKeyZWQFOYCFQPDYJB-UHFFFAOYSA-N
MW381.39 g/mol
LogP1.35
Rot. Bonds6

About 3-(1,3-benzodioxol-5-yl)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-1H-pyrazole-5-carboxamide

3-(1,3-benzodioxol-5-yl)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-1H-pyrazole-5-carboxamide (PubChem CID 71795159) has the molecular formula C19H19N5O4 and a molecular weight of 381.39 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-1H-pyrazole-5-carboxamide
PubChem CID71795159
Molecular FormulaC19H19N5O4
Molecular Weight381.39 g/mol
Exact Mass381.14
IUPAC Name3-(1,3-benzodioxol-5-yl)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-1H-pyrazole-5-carboxamide
SMILESCCc1cc(=O)n(CCNC(=O)c2cc(-c3ccc4c(c3)OCO4)n[nH]2)cn1
InChIInChI=1S/C19H19N5O4/c1-2-13-8-18(25)24(10-21-13)6-5-20-19(26)15-9-14(22-23-15)12-3-4-16-17(7-12)28-11-27-16/h3-4,7-10H,2,5-6,11H2,1H3,(H,20,26)(H,22,23)
InChIKeyZWQFOYCFQPDYJB-UHFFFAOYSA-N
XLogP1.35
TPSA111.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 121119682
3-(1,3-benzodioxol-5-yl)-N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 121120521
N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 121119799
3-(4-fluorophenyl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 121119290
3-(1,3-benzodioxol-5-yl)-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 121116094
3-(1,3-benzodioxol-5-yl)-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-1H-pyrazole-5-carboxamide
CID 19513466
3-(1,3-benzodioxol-5-yl)-N-butan-2-yl-1H-pyrazole-5-carboxamide
CID 19513302
3-(1,3-benzodioxol-5-yl)-1H-pyrazole-5-carbohydrazide
CID 853504
3-(1,3-benzodioxol-5-yl)-N-[(6-methylpyrimidin-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 122263513
3-(1,3-benzodioxol-5-yl)-N-[2-(4-cyclopropyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 90541794
N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 121120412
N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]pyridine-2-carboxamide
CID 121119568

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-1H-pyrazole-5-carboxamide (CID 71795159) is 3-(1,3-benzodioxol-5-yl)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-1H-pyrazole-5-carboxamide is CCc1cc(=O)n(CCNC(=O)c2cc(-c3ccc4c(c3)OCO4)n[nH]2)cn1.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-1H-pyrazole-5-carboxamide?
The InChIKey is ZWQFOYCFQPDYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O4/c1-2-13-8-18(25)24(10-21-13)6-5-20-19(26)15-9-14(22-23-15)12-3-4-16-17(7-12)28-11-27-16/h3-4,7-10H,2,5-6,11H2,1H3,(H,20,26)(H,22,23).
What are the key properties of 3-(1,3-benzodioxol-5-yl)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-1H-pyrazole-5-carboxamide?
3-(1,3-benzodioxol-5-yl)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-1H-pyrazole-5-carboxamide has a molecular weight of 381.39 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 71795159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).