3-ethyl-1-methyl-N-phenylmethoxypyrazole-4-carboxamide

C14H17N3O2 — CID 103893398

IUPAC3-ethyl-1-methyl-N-phenylmethoxypyrazole-4-carboxamide
SMILESCCc1nn(C)cc1C(=O)NOCc1ccccc1
InChIInChI=1S/C14H17N3O2/c1-3-13-12(9-17(2)15-13)14(18)16-19-10-11-7-5-4-6-8-11/h4-9H,3,10H2,1-2H3,(H,16,18)
InChIKeyZVINUTWHRKBJRN-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.84
Rot. Bonds5

About 3-ethyl-1-methyl-N-phenylmethoxypyrazole-4-carboxamide

3-ethyl-1-methyl-N-phenylmethoxypyrazole-4-carboxamide (PubChem CID 103893398) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-ethyl-1-methyl-N-phenylmethoxypyrazole-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-1-methyl-N-phenylmethoxypyrazole-4-carboxamide
PubChem CID103893398
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name3-ethyl-1-methyl-N-phenylmethoxypyrazole-4-carboxamide
SMILESCCc1nn(C)cc1C(=O)NOCc1ccccc1
InChIInChI=1S/C14H17N3O2/c1-3-13-12(9-17(2)15-13)14(18)16-19-10-11-7-5-4-6-8-11/h4-9H,3,10H2,1-2H3,(H,16,18)
InChIKeyZVINUTWHRKBJRN-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

3-ethyl-1-methyl-N-phenylmethoxypyrazole-5-carboxamide
CID 66120747
N-(2-carbamothioylphenyl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102810468
3-(4-methylphenyl)-1-phenyl-N-phenylmethoxypyrazole-4-carboxamide
CID 155553556
N-(1-chloro-2-phenylpropan-2-yl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102811397
2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2-methylpropanoic acid
CID 102810141
2-(3-ethyl-1-methylpyrazol-4-yl)-2-[methyl(phenylmethoxycarbonyl)amino]acetic acid
CID 103955761
2,5-dimethyl-N-phenylmethoxybenzamide
CID 9227271
methyl 2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-3-hydroxypropanoate
CID 104964317
N-[[3-(bromomethyl)phenyl]methyl]-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102811324
N-(2-chloroethyl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102810778
N-[3-(3-chloropropyl)phenyl]-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102811355
2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-3-methylbutanoic acid
CID 102810054

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-N-phenylmethoxypyrazole-4-carboxamide?
The IUPAC name of 3-ethyl-1-methyl-N-phenylmethoxypyrazole-4-carboxamide (CID 103893398) is 3-ethyl-1-methyl-N-phenylmethoxypyrazole-4-carboxamide.
What is the SMILES notation for 3-ethyl-1-methyl-N-phenylmethoxypyrazole-4-carboxamide?
The canonical SMILES for 3-ethyl-1-methyl-N-phenylmethoxypyrazole-4-carboxamide is CCc1nn(C)cc1C(=O)NOCc1ccccc1.
What is the InChIKey of 3-ethyl-1-methyl-N-phenylmethoxypyrazole-4-carboxamide?
The InChIKey is ZVINUTWHRKBJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-3-13-12(9-17(2)15-13)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-4-carboxamide?
3-ethyl-1-methyl-N-phenylmethoxypyrazole-4-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-4-carboxamide is sourced from PubChem (CID 103893398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).