(1-anilino-1-oxopropan-2-yl) 1-methylpyrazole-4-carboxylate

C14H15N3O3 — CID 86909566

IUPAC(1-anilino-1-oxopropan-2-yl) 1-methylpyrazole-4-carboxylate
SMILESCC(OC(=O)c1cnn(C)c1)C(=O)Nc1ccccc1
InChIInChI=1S/C14H15N3O3/c1-10(13(18)16-12-6-4-3-5-7-12)20-14(19)11-8-15-17(2)9-11/h3-10H,1-2H3,(H,16,18)
InChIKeyIDHHKZCCHILFCV-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.60
Rot. Bonds4

About (1-anilino-1-oxopropan-2-yl) 1-methylpyrazole-4-carboxylate

(1-anilino-1-oxopropan-2-yl) 1-methylpyrazole-4-carboxylate (PubChem CID 86909566) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is (1-anilino-1-oxopropan-2-yl) 1-methylpyrazole-4-carboxylate.

Molecular Properties

Compound Name(1-anilino-1-oxopropan-2-yl) 1-methylpyrazole-4-carboxylate
PubChem CID86909566
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name(1-anilino-1-oxopropan-2-yl) 1-methylpyrazole-4-carboxylate
SMILESCC(OC(=O)c1cnn(C)c1)C(=O)Nc1ccccc1
InChIInChI=1S/C14H15N3O3/c1-10(13(18)16-12-6-4-3-5-7-12)20-14(19)11-8-15-17(2)9-11/h3-10H,1-2H3,(H,16,18)
InChIKeyIDHHKZCCHILFCV-UHFFFAOYSA-N
XLogP1.60
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-anilino-1-oxopropan-2-yl] pyridine-3-carboxylate
CID 9413930
[(2S)-1-anilino-1-oxopropan-2-yl] 4-methylbenzoate
CID 2506398
4-O-[(2S)-1-anilino-1-oxopropan-2-yl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7296552
[(2R)-1-anilino-1-oxopropan-2-yl] 3,5-diacetamidobenzoate
CID 26002721
[(2R)-1-anilino-1-oxopropan-2-yl] 1-oxidopyridin-1-ium-4-carboxylate
CID 7833960
(1-anilino-1-oxopropan-2-yl) 3-hydroxybenzoate
CID 24687453
(2R)-2-methoxy-N-phenylpropanamide
CID 11805321
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-phenoxybenzoate
CID 7838042
[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] pyridine-3-carboxylate
CID 2355110
[(2R)-1-anilino-1-oxopropan-2-yl] 3-fluorobenzoate
CID 2523840
[(2S)-1-oxo-1-(4-phenoxyanilino)propan-2-yl] 4-acetamidobenzoate
CID 7949676
[(2S)-1-anilino-1-oxopropan-2-yl] acetate
CID 7000051

Frequently Asked Questions

What is the IUPAC name of (1-anilino-1-oxopropan-2-yl) 1-methylpyrazole-4-carboxylate?
The IUPAC name of (1-anilino-1-oxopropan-2-yl) 1-methylpyrazole-4-carboxylate (CID 86909566) is (1-anilino-1-oxopropan-2-yl) 1-methylpyrazole-4-carboxylate.
What is the SMILES notation for (1-anilino-1-oxopropan-2-yl) 1-methylpyrazole-4-carboxylate?
The canonical SMILES for (1-anilino-1-oxopropan-2-yl) 1-methylpyrazole-4-carboxylate is CC(OC(=O)c1cnn(C)c1)C(=O)Nc1ccccc1.
What is the InChIKey of (1-anilino-1-oxopropan-2-yl) 1-methylpyrazole-4-carboxylate?
The InChIKey is IDHHKZCCHILFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-10(13(18)16-12-6-4-3-5-7-12)20-14(19)11-8-15-17(2)9-11/h3-10H,1-2H3,(H,16,18).
What are the key properties of (1-anilino-1-oxopropan-2-yl) 1-methylpyrazole-4-carboxylate?
(1-anilino-1-oxopropan-2-yl) 1-methylpyrazole-4-carboxylate has a molecular weight of 273.29 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-anilino-1-oxopropan-2-yl) 1-methylpyrazole-4-carboxylate is sourced from PubChem (CID 86909566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).