methyl 2-methyl-2-(1H-pyrazole-4-carbonylamino)propanoate

C9H13N3O3 — CID 61258651

IUPACmethyl 2-methyl-2-(1H-pyrazole-4-carbonylamino)propanoate
SMILESCOC(=O)C(C)(C)NC(=O)c1cn[nH]c1
InChIInChI=1S/C9H13N3O3/c1-9(2,8(14)15-3)12-7(13)6-4-10-11-5-6/h4-5H,1-3H3,(H,10,11)(H,12,13)
InChIKeyZKVIYBLGBNLNKR-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.09
Rot. Bonds3

About methyl 2-methyl-2-(1H-pyrazole-4-carbonylamino)propanoate

methyl 2-methyl-2-(1H-pyrazole-4-carbonylamino)propanoate (PubChem CID 61258651) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is methyl 2-methyl-2-(1H-pyrazole-4-carbonylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-(1H-pyrazole-4-carbonylamino)propanoate
PubChem CID61258651
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Namemethyl 2-methyl-2-(1H-pyrazole-4-carbonylamino)propanoate
SMILESCOC(=O)C(C)(C)NC(=O)c1cn[nH]c1
InChIInChI=1S/C9H13N3O3/c1-9(2,8(14)15-3)12-7(13)6-4-10-11-5-6/h4-5H,1-3H3,(H,10,11)(H,12,13)
InChIKeyZKVIYBLGBNLNKR-UHFFFAOYSA-N
XLogP0.09
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,3,3-trifluoro-2-methyl-2-(1H-pyrazole-4-carbonylamino)propanoic acid
CID 79796230
methyl 2-[(5-chloropyrazine-2-carbonyl)amino]-2-methylpropanoate
CID 107371904
N-propan-2-yl-1H-pyrazole-4-carboxamide
CID 20785130
N-(methoxymethyl)-1H-pyrazole-4-carboxamide
CID 154047785
N-methyl-1H-pyrazole-4-carboxamide;propane
CID 155700970
(2S)-3,3-dimethyl-2-(1H-pyrazole-4-carbonylamino)butanoic acid
CID 61144659
methyl 2-[(3-bromo-5-methylbenzoyl)amino]-2-methylpropanoate
CID 104852229
1H-pyrazole-4-carboxylate
CID 7004927
N-(2-hydroxy-4-methoxy-2-methylbutyl)-1H-pyrazole-4-carboxamide
CID 103712317
methyl 2-(2,3-dihydro-1H-isoindole-5-carbonylamino)-2-methylpropanoate
CID 103998421
N-tert-butyl-4-(1H-pyrazol-4-yl)benzamide
CID 110464260
methyl 2-[(4-ethoxybenzoyl)amino]-2-methylpropanoate
CID 31922197

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-(1H-pyrazole-4-carbonylamino)propanoate?
The IUPAC name of methyl 2-methyl-2-(1H-pyrazole-4-carbonylamino)propanoate (CID 61258651) is methyl 2-methyl-2-(1H-pyrazole-4-carbonylamino)propanoate.
What is the SMILES notation for methyl 2-methyl-2-(1H-pyrazole-4-carbonylamino)propanoate?
The canonical SMILES for methyl 2-methyl-2-(1H-pyrazole-4-carbonylamino)propanoate is COC(=O)C(C)(C)NC(=O)c1cn[nH]c1.
What is the InChIKey of methyl 2-methyl-2-(1H-pyrazole-4-carbonylamino)propanoate?
The InChIKey is ZKVIYBLGBNLNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-9(2,8(14)15-3)12-7(13)6-4-10-11-5-6/h4-5H,1-3H3,(H,10,11)(H,12,13).
What are the key properties of methyl 2-methyl-2-(1H-pyrazole-4-carbonylamino)propanoate?
methyl 2-methyl-2-(1H-pyrazole-4-carbonylamino)propanoate has a molecular weight of 211.22 g/mol, XLogP of 0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-(1H-pyrazole-4-carbonylamino)propanoate is sourced from PubChem (CID 61258651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).