ethyl 3-(2-methylpropanoylamino)-1H-pyrazole-5-carboxylate

C10H15N3O3 — CID 12044398

IUPACethyl 3-(2-methylpropanoylamino)-1H-pyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(NC(=O)C(C)C)n[nH]1
InChIInChI=1S/C10H15N3O3/c1-4-16-10(15)7-5-8(13-12-7)11-9(14)6(2)3/h5-6H,4H2,1-3H3,(H2,11,12,13,14)
InChIKeyBTGCABTVYVUOLL-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.18
Rot. Bonds4

About ethyl 3-(2-methylpropanoylamino)-1H-pyrazole-5-carboxylate

ethyl 3-(2-methylpropanoylamino)-1H-pyrazole-5-carboxylate (PubChem CID 12044398) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is ethyl 3-(2-methylpropanoylamino)-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-(2-methylpropanoylamino)-1H-pyrazole-5-carboxylate
PubChem CID12044398
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Nameethyl 3-(2-methylpropanoylamino)-1H-pyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(NC(=O)C(C)C)n[nH]1
InChIInChI=1S/C10H15N3O3/c1-4-16-10(15)7-5-8(13-12-7)11-9(14)6(2)3/h5-6H,4H2,1-3H3,(H2,11,12,13,14)
InChIKeyBTGCABTVYVUOLL-UHFFFAOYSA-N
XLogP1.18
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-amino-1H-pyrazole-3-carboxylate
CID 4321844
3-O-ethyl 1-O-methyl 5-aminopyrazole-1,3-dicarboxylate
CID 11287330
ethyl 3-acetamido-1H-pyrazole-5-carboxylate
CID 58810185
3-(but-2-ynamido)-1H-pyrazole-5-carboxylic acid hydrochloride
CID 165696597
ethyl 3-(3,3,3-trifluoropropanoylamino)-1H-pyrazole-5-carboxylate
CID 75447944
ethyl 3-[[(2S)-2-(2,2-dimethylpropanoylamino)-3-methylbutanoyl]amino]-1H-pyrazole-5-carboxylate
CID 124874177
ethyl 3-[cyclobutyl(2,2,2-trifluoroethyl)amino]-1H-pyrazole-5-carboxylate
CID 68391616
methyl 5-oxo-7-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 135723532
ethyl 5-oxo-7-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 166154622
3-Amino-1H-pyrazole-1,5-dicarboxylic acid 5-ethyl 1-methyl ester
CID 68006673
methyl 3-[(5-nitro-1H-pyrazole-3-carbonyl)amino]-1H-pyrazole-5-carboxylate
CID 136427091
methyl 3-(ethoxymethylcarbamothioylamino)-1H-pyrazole-5-carboxylate
CID 90821813

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-methylpropanoylamino)-1H-pyrazole-5-carboxylate?
The IUPAC name of ethyl 3-(2-methylpropanoylamino)-1H-pyrazole-5-carboxylate (CID 12044398) is ethyl 3-(2-methylpropanoylamino)-1H-pyrazole-5-carboxylate.
What is the SMILES notation for ethyl 3-(2-methylpropanoylamino)-1H-pyrazole-5-carboxylate?
The canonical SMILES for ethyl 3-(2-methylpropanoylamino)-1H-pyrazole-5-carboxylate is CCOC(=O)c1cc(NC(=O)C(C)C)n[nH]1.
What is the InChIKey of ethyl 3-(2-methylpropanoylamino)-1H-pyrazole-5-carboxylate?
The InChIKey is BTGCABTVYVUOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-4-16-10(15)7-5-8(13-12-7)11-9(14)6(2)3/h5-6H,4H2,1-3H3,(H2,11,12,13,14).
What are the key properties of ethyl 3-(2-methylpropanoylamino)-1H-pyrazole-5-carboxylate?
ethyl 3-(2-methylpropanoylamino)-1H-pyrazole-5-carboxylate has a molecular weight of 225.25 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-methylpropanoylamino)-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 12044398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).