N-[2-(2-methoxyethoxy)-4-methylphenyl]-1H-pyrazole-4-carboxamide

C14H17N3O3 — CID 60934173

IUPACN-[2-(2-methoxyethoxy)-4-methylphenyl]-1H-pyrazole-4-carboxamide
SMILESCOCCOc1cc(C)ccc1NC(=O)c1cn[nH]c1
InChIInChI=1S/C14H17N3O3/c1-10-3-4-12(13(7-10)20-6-5-19-2)17-14(18)11-8-15-16-9-11/h3-4,7-9H,5-6H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyLOXTUAWCSIXURT-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.00
Rot. Bonds6

About N-[2-(2-methoxyethoxy)-4-methylphenyl]-1H-pyrazole-4-carboxamide

N-[2-(2-methoxyethoxy)-4-methylphenyl]-1H-pyrazole-4-carboxamide (PubChem CID 60934173) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-[2-(2-methoxyethoxy)-4-methylphenyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethoxy)-4-methylphenyl]-1H-pyrazole-4-carboxamide
PubChem CID60934173
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC NameN-[2-(2-methoxyethoxy)-4-methylphenyl]-1H-pyrazole-4-carboxamide
SMILESCOCCOc1cc(C)ccc1NC(=O)c1cn[nH]c1
InChIInChI=1S/C14H17N3O3/c1-10-3-4-12(13(7-10)20-6-5-19-2)17-14(18)11-8-15-16-9-11/h3-4,7-9H,5-6H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyLOXTUAWCSIXURT-UHFFFAOYSA-N
XLogP2.00
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[[2-(2-methoxyethoxy)-4-methylphenyl]carbamoyl]pyrazine-2-carboxylic acid
CID 120685047
4-chloro-3-iodo-N-[2-(2-methoxyethoxy)-4-methylphenyl]benzamide
CID 55891092
N-[2-(2-methoxyethoxy)-4-methylphenyl]-4-(trifluoromethoxy)benzamide
CID 55891215
2-amino-N-[2-(2-methoxyethoxy)-4-methylphenyl]acetamide;hydrochloride
CID 119291233
2-(aminomethyl)-N-[2-(2-methoxyethoxy)-4-methylphenyl]-1,3-thiazole-4-carboxamide
CID 119726889
1-[4-[[2-(2-methoxyethoxy)-4-methylphenyl]carbamoyl]phenyl]-5-methylpyrazole-4-carboxylic acid
CID 75383498
2-bromo-N-[2-(2-methoxyethoxy)-4-methylphenyl]propanamide
CID 107904095
N-(4-amino-2-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 63085782
N-[2-(2-methoxyethoxy)-4-methylphenyl]-3-methylbut-2-enamide
CID 113225723
N-[2-(2-methoxyethoxy)-4-methylphenyl]thiophene-2-carboxamide
CID 47311026
N-[2-[2-(2-methoxyethoxy)-4-methylanilino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 55950792
4-fluoro-N-[2-[2-(2-methoxyethoxy)-4-methylanilino]-2-oxoethyl]benzamide
CID 55950031

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethoxy)-4-methylphenyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[2-(2-methoxyethoxy)-4-methylphenyl]-1H-pyrazole-4-carboxamide (CID 60934173) is N-[2-(2-methoxyethoxy)-4-methylphenyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyethoxy)-4-methylphenyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[2-(2-methoxyethoxy)-4-methylphenyl]-1H-pyrazole-4-carboxamide is COCCOc1cc(C)ccc1NC(=O)c1cn[nH]c1.
What is the InChIKey of N-[2-(2-methoxyethoxy)-4-methylphenyl]-1H-pyrazole-4-carboxamide?
The InChIKey is LOXTUAWCSIXURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-10-3-4-12(13(7-10)20-6-5-19-2)17-14(18)11-8-15-16-9-11/h3-4,7-9H,5-6H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of N-[2-(2-methoxyethoxy)-4-methylphenyl]-1H-pyrazole-4-carboxamide?
N-[2-(2-methoxyethoxy)-4-methylphenyl]-1H-pyrazole-4-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethoxy)-4-methylphenyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 60934173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).