ethyl 3-[(2-methylpyrazol-3-yl)carbamoylamino]propanoate

C10H16N4O3 — CID 108813860

IUPACethyl 3-[(2-methylpyrazol-3-yl)carbamoylamino]propanoate
SMILESCCOC(=O)CCNC(=O)Nc1ccnn1C
InChIInChI=1S/C10H16N4O3/c1-3-17-9(15)5-6-11-10(16)13-8-4-7-12-14(8)2/h4,7H,3,5-6H2,1-2H3,(H2,11,13,16)
InChIKeyJOCJCRZQWUGREI-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.49
Rot. Bonds5

About ethyl 3-[(2-methylpyrazol-3-yl)carbamoylamino]propanoate

ethyl 3-[(2-methylpyrazol-3-yl)carbamoylamino]propanoate (PubChem CID 108813860) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is ethyl 3-[(2-methylpyrazol-3-yl)carbamoylamino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(2-methylpyrazol-3-yl)carbamoylamino]propanoate
PubChem CID108813860
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Nameethyl 3-[(2-methylpyrazol-3-yl)carbamoylamino]propanoate
SMILESCCOC(=O)CCNC(=O)Nc1ccnn1C
InChIInChI=1S/C10H16N4O3/c1-3-17-9(15)5-6-11-10(16)13-8-4-7-12-14(8)2/h4,7H,3,5-6H2,1-2H3,(H2,11,13,16)
InChIKeyJOCJCRZQWUGREI-UHFFFAOYSA-N
XLogP0.49
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-fluoroethyl)-3-(2-methylpyrazol-3-yl)urea
CID 130637088
ethyl 3-[3-(2-methylpyrazol-3-yl)prop-2-enoylamino]propanoate
CID 76930231
1-[(4-methylphenyl)methyl]-3-(2-methylpyrazol-3-yl)urea
CID 108813684
ethyl 3-[(2-hydroxy-4-methylphenyl)carbamoylamino]propanoate
CID 10468107
1-[(2R)-2-ethoxy-2-phenylethyl]-3-(2-methylpyrazol-3-yl)urea
CID 99840154
ethyl 3-[(5-chloro-2-hydroxyphenyl)carbamoylamino]propanoate
CID 10334217
1-(4-ethylphenyl)-3-(2-methylpyrazol-3-yl)urea
CID 108813713
ethyl 3-[(6-methoxy-3-pyridinyl)carbamoylamino]propanoate
CID 3247497
ethyl 4-[(2-methylpyrazol-3-yl)sulfonylamino]butanoate
CID 113444020
1-butyl-3-(2-butylpyrazol-3-yl)urea
CID 47420496
1-(2-methylpyrazol-3-yl)-3-(pyridin-3-ylmethyl)urea
CID 108813626
2-methoxy-N-(2-methylpyrazol-3-yl)acetamide
CID 110470519

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(2-methylpyrazol-3-yl)carbamoylamino]propanoate?
The IUPAC name of ethyl 3-[(2-methylpyrazol-3-yl)carbamoylamino]propanoate (CID 108813860) is ethyl 3-[(2-methylpyrazol-3-yl)carbamoylamino]propanoate.
What is the SMILES notation for ethyl 3-[(2-methylpyrazol-3-yl)carbamoylamino]propanoate?
The canonical SMILES for ethyl 3-[(2-methylpyrazol-3-yl)carbamoylamino]propanoate is CCOC(=O)CCNC(=O)Nc1ccnn1C.
What is the InChIKey of ethyl 3-[(2-methylpyrazol-3-yl)carbamoylamino]propanoate?
The InChIKey is JOCJCRZQWUGREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-3-17-9(15)5-6-11-10(16)13-8-4-7-12-14(8)2/h4,7H,3,5-6H2,1-2H3,(H2,11,13,16).
What are the key properties of ethyl 3-[(2-methylpyrazol-3-yl)carbamoylamino]propanoate?
ethyl 3-[(2-methylpyrazol-3-yl)carbamoylamino]propanoate has a molecular weight of 240.26 g/mol, XLogP of 0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(2-methylpyrazol-3-yl)carbamoylamino]propanoate is sourced from PubChem (CID 108813860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).