3-ethyl-1-methyl-N-phenylmethoxypyrazole-5-carboxamide

C14H17N3O2 — CID 66120747

IUPAC3-ethyl-1-methyl-N-phenylmethoxypyrazole-5-carboxamide
SMILESCCc1cc(C(=O)NOCc2ccccc2)n(C)n1
InChIInChI=1S/C14H17N3O2/c1-3-12-9-13(17(2)15-12)14(18)16-19-10-11-7-5-4-6-8-11/h4-9H,3,10H2,1-2H3,(H,16,18)
InChIKeyNHXXCXGUGQCRQB-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.84
Rot. Bonds5

About 3-ethyl-1-methyl-N-phenylmethoxypyrazole-5-carboxamide

3-ethyl-1-methyl-N-phenylmethoxypyrazole-5-carboxamide (PubChem CID 66120747) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-ethyl-1-methyl-N-phenylmethoxypyrazole-5-carboxamide.

Molecular Properties

Compound Name3-ethyl-1-methyl-N-phenylmethoxypyrazole-5-carboxamide
PubChem CID66120747
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name3-ethyl-1-methyl-N-phenylmethoxypyrazole-5-carboxamide
SMILESCCc1cc(C(=O)NOCc2ccccc2)n(C)n1
InChIInChI=1S/C14H17N3O2/c1-3-12-9-13(17(2)15-12)14(18)16-19-10-11-7-5-4-6-8-11/h4-9H,3,10H2,1-2H3,(H,16,18)
InChIKeyNHXXCXGUGQCRQB-UHFFFAOYSA-N
XLogP1.84
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]oxyacetic acid
CID 66121113
3-ethyl-1-methyl-N-phenylmethoxypyrazole-4-carboxamide
CID 103893398
N-[[3-(aminomethyl)phenyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66120501
N-(2-aminophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66119915
N-[(3-aminophenyl)methyl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66121298
N-(1-amino-2-phenylpropan-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 105060410
3-phenyl-N-phenylmethoxyimidazole-4-carboxamide
CID 17426431
N-(2-aminoethyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66120701
5-amino-2-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]benzoic acid
CID 66121300
N-[1-(2-aminophenyl)ethyl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66121687
3-ethyl-N-[3-(ethylaminomethyl)phenyl]-1-methylpyrazole-5-carboxamide
CID 66121147
N-(2,2-diethoxyethyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 79547185

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-N-phenylmethoxypyrazole-5-carboxamide?
The IUPAC name of 3-ethyl-1-methyl-N-phenylmethoxypyrazole-5-carboxamide (CID 66120747) is 3-ethyl-1-methyl-N-phenylmethoxypyrazole-5-carboxamide.
What is the SMILES notation for 3-ethyl-1-methyl-N-phenylmethoxypyrazole-5-carboxamide?
The canonical SMILES for 3-ethyl-1-methyl-N-phenylmethoxypyrazole-5-carboxamide is CCc1cc(C(=O)NOCc2ccccc2)n(C)n1.
What is the InChIKey of 3-ethyl-1-methyl-N-phenylmethoxypyrazole-5-carboxamide?
The InChIKey is NHXXCXGUGQCRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-3-12-9-13(17(2)15-12)14(18)16-19-10-11-7-5-4-6-8-11/h4-9H,3,10H2,1-2H3,(H,16,18).
What are the key properties of 3-ethyl-1-methyl-N-phenylmethoxypyrazole-5-carboxamide?
3-ethyl-1-methyl-N-phenylmethoxypyrazole-5-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-N-phenylmethoxypyrazole-5-carboxamide is sourced from PubChem (CID 66120747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).