methyl 3-[methyl-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]propanoate

C14H18N4O3 — CID 61242474

IUPACmethyl 3-[methyl-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]propanoate
SMILESCOC(=O)CCN(C)C(=O)c1cnn(C)c1-n1cccc1
InChIInChI=1S/C14H18N4O3/c1-16(9-6-12(19)21-3)14(20)11-10-15-17(2)13(11)18-7-4-5-8-18/h4-5,7-8,10H,6,9H2,1-3H3
InChIKeyQEILYFBBXXZIEY-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.85
Rot. Bonds5

About methyl 3-[methyl-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]propanoate

methyl 3-[methyl-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]propanoate (PubChem CID 61242474) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is methyl 3-[methyl-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[methyl-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]propanoate
PubChem CID61242474
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Namemethyl 3-[methyl-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]propanoate
SMILESCOC(=O)CCN(C)C(=O)c1cnn(C)c1-n1cccc1
InChIInChI=1S/C14H18N4O3/c1-16(9-6-12(19)21-3)14(20)11-10-15-17(2)13(11)18-7-4-5-8-18/h4-5,7-8,10H,6,9H2,1-3H3
InChIKeyQEILYFBBXXZIEY-UHFFFAOYSA-N
XLogP0.85
TPSA69.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-hydroxypentyl)-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 107202135
N,1-dimethyl-N-[2-(2-methylphenoxy)ethyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 38107143
N-[(4-ethylphenyl)methyl]-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 38045932
N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 31852382
N,1-dimethyl-N-[(4-methylsulfanylphenyl)methyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 38074949
methyl 3-[methyl-(4-pyrrol-1-ylbenzoyl)amino]propanoate
CID 61031076
N-[2-[[2-(4-tert-butylphenyl)-2-methylpropyl]amino]-2-oxoethyl]-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 166185092
N-[(2,4-difluorophenyl)methyl]-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 38230240
1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl fluoride
CID 58724547
N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 39436447
3-[methyl-(1-methyl-5-phenylpyrazole-4-carbonyl)amino]propanoic acid
CID 120525069
N-[2-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)amino]-2-oxoethyl]-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 154840007

Frequently Asked Questions

What is the IUPAC name of methyl 3-[methyl-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]propanoate?
The IUPAC name of methyl 3-[methyl-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]propanoate (CID 61242474) is methyl 3-[methyl-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 3-[methyl-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]propanoate?
The canonical SMILES for methyl 3-[methyl-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]propanoate is COC(=O)CCN(C)C(=O)c1cnn(C)c1-n1cccc1.
What is the InChIKey of methyl 3-[methyl-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]propanoate?
The InChIKey is QEILYFBBXXZIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-16(9-6-12(19)21-3)14(20)11-10-15-17(2)13(11)18-7-4-5-8-18/h4-5,7-8,10H,6,9H2,1-3H3.
What are the key properties of methyl 3-[methyl-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]propanoate?
methyl 3-[methyl-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]propanoate has a molecular weight of 290.32 g/mol, XLogP of 0.85, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[methyl-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]propanoate is sourced from PubChem (CID 61242474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).