methyl 3-(4-carbamoylpyrazol-1-yl)propanoate

C8H11N3O3 — CID 50896619

IUPACmethyl 3-(4-carbamoylpyrazol-1-yl)propanoate
SMILESCOC(=O)CCn1cc(C(N)=O)cn1
InChIInChI=1S/C8H11N3O3/c1-14-7(12)2-3-11-5-6(4-10-11)8(9)13/h4-5H,2-3H2,1H3,(H2,9,13)
InChIKeyIHHLQDBOVXYNMQ-UHFFFAOYSA-N
MW197.19 g/mol
LogP-0.45
Rot. Bonds4

About methyl 3-(4-carbamoylpyrazol-1-yl)propanoate

methyl 3-(4-carbamoylpyrazol-1-yl)propanoate (PubChem CID 50896619) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is methyl 3-(4-carbamoylpyrazol-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(4-carbamoylpyrazol-1-yl)propanoate
PubChem CID50896619
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Namemethyl 3-(4-carbamoylpyrazol-1-yl)propanoate
SMILESCOC(=O)CCn1cc(C(N)=O)cn1
InChIInChI=1S/C8H11N3O3/c1-14-7(12)2-3-11-5-6(4-10-11)8(9)13/h4-5H,2-3H2,1H3,(H2,9,13)
InChIKeyIHHLQDBOVXYNMQ-UHFFFAOYSA-N
XLogP-0.45
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(4-chloropyrazol-1-yl)propanoate
CID 7017157
1-(2-chloroethyl)pyrazole-4-carboxamide
CID 130161502
1-(4-hydrazinyl-4-oxobutyl)pyrazole-4-carboxamide
CID 63577284
methyl 3-(4-nitropyrazol-1-yl)propanoate
CID 4184227
1-[2-(methylamino)-2-oxoethyl]pyrazole-4-carboxamide
CID 130605298
methyl 4-(4-carbamoylpyrazol-1-yl)-2-methylbut-2-enoate
CID 77075936
3-[4-[(6-methoxy-6-oxohexyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19471172
methyl 3-(4-carbamoylpyrazol-1-yl)butanoate
CID 62828712
1-(3-cyano-3-methylbutyl)pyrazole-4-carboxamide
CID 81252764
methyl 5-(4-formylpyrazol-1-yl)pentanoate
CID 165460763
(3-carbamoylphenyl)methyl 3-(4-methylpyrazol-1-yl)propanoate
CID 60562435
1-[3-(2-aminophenoxy)propyl]pyrazole-4-carboxamide
CID 64782555

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-carbamoylpyrazol-1-yl)propanoate?
The IUPAC name of methyl 3-(4-carbamoylpyrazol-1-yl)propanoate (CID 50896619) is methyl 3-(4-carbamoylpyrazol-1-yl)propanoate.
What is the SMILES notation for methyl 3-(4-carbamoylpyrazol-1-yl)propanoate?
The canonical SMILES for methyl 3-(4-carbamoylpyrazol-1-yl)propanoate is COC(=O)CCn1cc(C(N)=O)cn1.
What is the InChIKey of methyl 3-(4-carbamoylpyrazol-1-yl)propanoate?
The InChIKey is IHHLQDBOVXYNMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-14-7(12)2-3-11-5-6(4-10-11)8(9)13/h4-5H,2-3H2,1H3,(H2,9,13).
What are the key properties of methyl 3-(4-carbamoylpyrazol-1-yl)propanoate?
methyl 3-(4-carbamoylpyrazol-1-yl)propanoate has a molecular weight of 197.19 g/mol, XLogP of -0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-carbamoylpyrazol-1-yl)propanoate is sourced from PubChem (CID 50896619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).