N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-methoxypyridazine-3-carboxamide

C13H17N5O2 — CID 90509385

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-methoxypyridazine-3-carboxamide
SMILESCOc1ccc(C(=O)NCCn2nc(C)cc2C)nn1
InChIInChI=1S/C13H17N5O2/c1-9-8-10(2)18(17-9)7-6-14-13(19)11-4-5-12(20-3)16-15-11/h4-5,8H,6-7H2,1-3H3,(H,14,19)
InChIKeyXQPVARNEGYIEHV-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.73
Rot. Bonds5

About N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-methoxypyridazine-3-carboxamide

N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-methoxypyridazine-3-carboxamide (PubChem CID 90509385) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-methoxypyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-methoxypyridazine-3-carboxamide
PubChem CID90509385
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-methoxypyridazine-3-carboxamide
SMILESCOc1ccc(C(=O)NCCn2nc(C)cc2C)nn1
InChIInChI=1S/C13H17N5O2/c1-9-8-10(2)18(17-9)7-6-14-13(19)11-4-5-12(20-3)16-15-11/h4-5,8H,6-7H2,1-3H3,(H,14,19)
InChIKeyXQPVARNEGYIEHV-UHFFFAOYSA-N
XLogP0.73
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2,6-dimethoxybenzamide
CID 35525595
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-methylpyrazole-3-carboxamide
CID 35761321
6-methoxy-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]pyridazine-3-carboxamide
CID 90509395
2-bromo-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]acetamide
CID 82110482
2-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzamide
CID 7444942
N-ethyl-6-methoxypyridazine-3-carboxamide
CID 90509402
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-methoxy-1-methyl-6-oxopyridine-3-carboxamide
CID 121016938
3-(3,4-dimethoxyphenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 42569020
1-N,4-N-bis[3-(3,5-dimethylpyrazol-1-yl)propyl]benzene-1,4-dicarboxamide
CID 43020223
3-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzamide
CID 35525667
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3,5-dimethoxybenzamide
CID 19293707
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methoxy-1-phenylpyrazole-5-carboxamide
CID 100830947

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-methoxypyridazine-3-carboxamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-methoxypyridazine-3-carboxamide (CID 90509385) is N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-methoxypyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-methoxypyridazine-3-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-methoxypyridazine-3-carboxamide is COc1ccc(C(=O)NCCn2nc(C)cc2C)nn1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-methoxypyridazine-3-carboxamide?
The InChIKey is XQPVARNEGYIEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-9-8-10(2)18(17-9)7-6-14-13(19)11-4-5-12(20-3)16-15-11/h4-5,8H,6-7H2,1-3H3,(H,14,19).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-methoxypyridazine-3-carboxamide?
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-methoxypyridazine-3-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-methoxypyridazine-3-carboxamide is sourced from PubChem (CID 90509385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).