N-[2-(methoxymethyl)phenyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide

C17H17N5O3 — CID 47036083

IUPACN-[2-(methoxymethyl)phenyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide
SMILESCOCc1ccccc1NC(=O)c1cnn(-c2ccc(=O)[nH]n2)c1C
InChIInChI=1S/C17H17N5O3/c1-11-13(9-18-22(11)15-7-8-16(23)21-20-15)17(24)19-14-6-4-3-5-12(14)10-25-2/h3-9H,10H2,1-2H3,(H,19,24)(H,21,23)
InChIKeyFCFHQSJTHHDAJR-UHFFFAOYSA-N
MW339.36 g/mol
LogP1.66
Rot. Bonds5

About N-[2-(methoxymethyl)phenyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide

N-[2-(methoxymethyl)phenyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide (PubChem CID 47036083) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is N-[2-(methoxymethyl)phenyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(methoxymethyl)phenyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide
PubChem CID47036083
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC NameN-[2-(methoxymethyl)phenyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide
SMILESCOCc1ccccc1NC(=O)c1cnn(-c2ccc(=O)[nH]n2)c1C
InChIInChI=1S/C17H17N5O3/c1-11-13(9-18-22(11)15-7-8-16(23)21-20-15)17(24)19-14-6-4-3-5-12(14)10-25-2/h3-9H,10H2,1-2H3,(H,19,24)(H,21,23)
InChIKeyFCFHQSJTHHDAJR-UHFFFAOYSA-N
XLogP1.66
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-1-(6-oxo-1H-pyridazin-3-yl)-N-(2-phenylsulfanylphenyl)pyrazole-4-carboxamide
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N-(5-fluoro-2-methylphenyl)-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide
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N-(2,4-dichlorophenyl)-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide
CID 24671988
N-[4-(2-methoxyphenoxy)phenyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide
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N-[2-(methoxymethyl)phenyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 63998640
N-benzhydryl-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide
CID 39677202
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CID 138046051
N-(2,3-dimethylphenyl)-1-(6-oxo-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 35553361
N-[(5-chloro-2-methoxyphenyl)methyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide
CID 47042782
N-(9H-fluoren-2-yl)-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide
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5-methyl-N-[4-methyl-3-(propan-2-ylcarbamoyl)phenyl]-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(methoxymethyl)phenyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide?
The IUPAC name of N-[2-(methoxymethyl)phenyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide (CID 47036083) is N-[2-(methoxymethyl)phenyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(methoxymethyl)phenyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide?
The canonical SMILES for N-[2-(methoxymethyl)phenyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide is COCc1ccccc1NC(=O)c1cnn(-c2ccc(=O)[nH]n2)c1C.
What is the InChIKey of N-[2-(methoxymethyl)phenyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide?
The InChIKey is FCFHQSJTHHDAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c1-11-13(9-18-22(11)15-7-8-16(23)21-20-15)17(24)19-14-6-4-3-5-12(14)10-25-2/h3-9H,10H2,1-2H3,(H,19,24)(H,21,23).
What are the key properties of N-[2-(methoxymethyl)phenyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide?
N-[2-(methoxymethyl)phenyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide has a molecular weight of 339.36 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methoxymethyl)phenyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 47036083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).