3-(3-methoxyphenyl)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-1H-pyrazole-5-carboxamide

C18H19N5O3 — CID 121059097

IUPAC3-(3-methoxyphenyl)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-1H-pyrazole-5-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NCCn3nc(C)ccc3=O)[nH]n2)c1
InChIInChI=1S/C18H19N5O3/c1-12-6-7-17(24)23(22-12)9-8-19-18(25)16-11-15(20-21-16)13-4-3-5-14(10-13)26-2/h3-7,10-11H,8-9H2,1-2H3,(H,19,25)(H,20,21)
InChIKeyUYFWRTYNHUKLOY-UHFFFAOYSA-N
MW353.38 g/mol
LogP1.38
Rot. Bonds6

About 3-(3-methoxyphenyl)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-1H-pyrazole-5-carboxamide

3-(3-methoxyphenyl)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-1H-pyrazole-5-carboxamide (PubChem CID 121059097) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-1H-pyrazole-5-carboxamide
PubChem CID121059097
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC Name3-(3-methoxyphenyl)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-1H-pyrazole-5-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NCCn3nc(C)ccc3=O)[nH]n2)c1
InChIInChI=1S/C18H19N5O3/c1-12-6-7-17(24)23(22-12)9-8-19-18(25)16-11-15(20-21-16)13-4-3-5-14(10-13)26-2/h3-7,10-11H,8-9H2,1-2H3,(H,19,25)(H,20,21)
InChIKeyUYFWRTYNHUKLOY-UHFFFAOYSA-N
XLogP1.38
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 121120033
N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19294391
3-(3-methoxyphenyl)-N-[3-(5-methylpyrazol-1-yl)propyl]-1H-pyrazole-5-carboxamide
CID 19509808
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
3-(3-methoxyphenyl)-N-[2-(methylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide
CID 70776702
N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 70770906
N-[(4-fluorophenyl)methyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509626
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121051815
2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 3224474
N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 97134220
N-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19411316
N-(3-methoxyphenyl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7665039

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(3-methoxyphenyl)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-1H-pyrazole-5-carboxamide (CID 121059097) is 3-(3-methoxyphenyl)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(3-methoxyphenyl)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(3-methoxyphenyl)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-1H-pyrazole-5-carboxamide is COc1cccc(-c2cc(C(=O)NCCn3nc(C)ccc3=O)[nH]n2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-1H-pyrazole-5-carboxamide?
The InChIKey is UYFWRTYNHUKLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-12-6-7-17(24)23(22-12)9-8-19-18(25)16-11-15(20-21-16)13-4-3-5-14(10-13)26-2/h3-7,10-11H,8-9H2,1-2H3,(H,19,25)(H,20,21).
What are the key properties of 3-(3-methoxyphenyl)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-1H-pyrazole-5-carboxamide?
3-(3-methoxyphenyl)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-1H-pyrazole-5-carboxamide has a molecular weight of 353.38 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 121059097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).