N-[2-(methoxymethyl)phenyl]-5-methyl-1H-pyrazole-4-carboxamide

C13H15N3O2 — CID 63998640

IUPACN-[2-(methoxymethyl)phenyl]-5-methyl-1H-pyrazole-4-carboxamide
SMILESCOCc1ccccc1NC(=O)c1cn[nH]c1C
InChIInChI=1S/C13H15N3O2/c1-9-11(7-14-16-9)13(17)15-12-6-4-3-5-10(12)8-18-2/h3-7H,8H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyHPYANPUYQTVECZ-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.12
Rot. Bonds4

About N-[2-(methoxymethyl)phenyl]-5-methyl-1H-pyrazole-4-carboxamide

N-[2-(methoxymethyl)phenyl]-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 63998640) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-[2-(methoxymethyl)phenyl]-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(methoxymethyl)phenyl]-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID63998640
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN-[2-(methoxymethyl)phenyl]-5-methyl-1H-pyrazole-4-carboxamide
SMILESCOCc1ccccc1NC(=O)c1cn[nH]c1C
InChIInChI=1S/C13H15N3O2/c1-9-11(7-14-16-9)13(17)15-12-6-4-3-5-10(12)8-18-2/h3-7H,8H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyHPYANPUYQTVECZ-UHFFFAOYSA-N
XLogP2.12
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(bromomethyl)phenyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 114309775
N-(2-acetylphenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 63998634
N-[2-(methoxymethyl)phenyl]-1H-pyrazole-4-carboxamide
CID 61273892
2-(ethylamino)-N-[2-(methoxymethyl)phenyl]benzamide
CID 62178678
N-[2-(methoxymethyl)phenyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide
CID 47036083
2-fluoro-N-[2-(methoxymethyl)phenyl]-5-methylbenzamide
CID 62511821
5-methyl-N-[2-(3-phenylpropoxy)phenyl]-1H-pyrazole-4-carboxamide
CID 50954483
1-[2-(methoxymethyl)phenyl]-3-methylurea
CID 115582115
N-[2-(methoxymethyl)phenyl]-5-(methylamino)pyridine-2-carboxamide
CID 104640992
methyl 3-methyl-4-[(5-methyl-1H-pyrazole-4-carbonyl)amino]benzoate
CID 63997003
6-(ethylamino)-N-[2-(methoxymethyl)phenyl]pyridine-3-carboxamide
CID 62177976
N-(2-methoxyethoxy)-5-methyl-1H-pyrazole-4-carboxamide
CID 79676894

Frequently Asked Questions

What is the IUPAC name of N-[2-(methoxymethyl)phenyl]-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[2-(methoxymethyl)phenyl]-5-methyl-1H-pyrazole-4-carboxamide (CID 63998640) is N-[2-(methoxymethyl)phenyl]-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(methoxymethyl)phenyl]-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[2-(methoxymethyl)phenyl]-5-methyl-1H-pyrazole-4-carboxamide is COCc1ccccc1NC(=O)c1cn[nH]c1C.
What is the InChIKey of N-[2-(methoxymethyl)phenyl]-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is HPYANPUYQTVECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-9-11(7-14-16-9)13(17)15-12-6-4-3-5-10(12)8-18-2/h3-7H,8H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of N-[2-(methoxymethyl)phenyl]-5-methyl-1H-pyrazole-4-carboxamide?
N-[2-(methoxymethyl)phenyl]-5-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methoxymethyl)phenyl]-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 63998640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).