methyl (Z)-2-cyano-3-(2-methylpyrazol-3-yl)prop-2-enoate

C9H9N3O2 — CID 122525928

IUPACmethyl (Z)-2-cyano-3-(2-methylpyrazol-3-yl)prop-2-enoate
SMILESCOC(=O)/C(C#N)=C\c1ccnn1C
InChIInChI=1S/C9H9N3O2/c1-12-8(3-4-11-12)5-7(6-10)9(13)14-2/h3-5H,1-2H3/b7-5-
InChIKeyYWNWCUJAPWITQD-ALCCZGGFSA-N
MW191.19 g/mol
LogP0.50
Rot. Bonds2

About methyl (Z)-2-cyano-3-(2-methylpyrazol-3-yl)prop-2-enoate

methyl (Z)-2-cyano-3-(2-methylpyrazol-3-yl)prop-2-enoate (PubChem CID 122525928) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is methyl (Z)-2-cyano-3-(2-methylpyrazol-3-yl)prop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-cyano-3-(2-methylpyrazol-3-yl)prop-2-enoate
PubChem CID122525928
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Namemethyl (Z)-2-cyano-3-(2-methylpyrazol-3-yl)prop-2-enoate
SMILESCOC(=O)/C(C#N)=C\c1ccnn1C
InChIInChI=1S/C9H9N3O2/c1-12-8(3-4-11-12)5-7(6-10)9(13)14-2/h3-5H,1-2H3/b7-5-
InChIKeyYWNWCUJAPWITQD-ALCCZGGFSA-N
XLogP0.50
TPSA67.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-cyano-3-(2-methylpyrazol-3-yl)prop-2-enoic acid
CID 115578586
methyl (E)-2-cyano-3-thiophen-2-ylprop-2-enoate
CID 968615
methyl (E)-2-cyano-3-(furan-2-yl)prop-2-enoate
CID 5467940
methyl 3-[1-(2-chloroethyl)pyrazol-4-yl]-2-cyanoprop-2-enoate
CID 75854999
methyl 3-(4-aminophenyl)-2-cyanoprop-2-enoate
CID 67839057
(E)-2-fluoro-3-(2-methylpyrazol-3-yl)prop-2-enoic acid
CID 114553845
methyl (E)-3-(1,3-benzodioxol-5-yl)-2-cyanoprop-2-enoate
CID 768567
methyl (E)-3-(2-chloro-4-iodo-3-pyridinyl)-2-cyanoprop-2-enoate
CID 117072544
methyl (Z)-3-(4-tert-butylphenyl)-2-cyanoprop-2-enoate
CID 19183366
methyl (E)-2-cyano-3-(5-methyl-1,2-oxazol-3-yl)prop-2-enoate
CID 119087297
methyl 2-cyano-3-quinolin-4-ylprop-2-enoate
CID 91169635
methyl 2-cyano-3-(4-ethylphenyl)prop-2-enoate
CID 5047473

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-2-cyano-3-(2-methylpyrazol-3-yl)prop-2-enoate?
The IUPAC name of methyl (Z)-2-cyano-3-(2-methylpyrazol-3-yl)prop-2-enoate (CID 122525928) is methyl (Z)-2-cyano-3-(2-methylpyrazol-3-yl)prop-2-enoate.
What is the SMILES notation for methyl (Z)-2-cyano-3-(2-methylpyrazol-3-yl)prop-2-enoate?
The canonical SMILES for methyl (Z)-2-cyano-3-(2-methylpyrazol-3-yl)prop-2-enoate is COC(=O)/C(C#N)=C\c1ccnn1C.
What is the InChIKey of methyl (Z)-2-cyano-3-(2-methylpyrazol-3-yl)prop-2-enoate?
The InChIKey is YWNWCUJAPWITQD-ALCCZGGFSA-N. The full InChI is InChI=1S/C9H9N3O2/c1-12-8(3-4-11-12)5-7(6-10)9(13)14-2/h3-5H,1-2H3/b7-5-.
What are the key properties of methyl (Z)-2-cyano-3-(2-methylpyrazol-3-yl)prop-2-enoate?
methyl (Z)-2-cyano-3-(2-methylpyrazol-3-yl)prop-2-enoate has a molecular weight of 191.19 g/mol, XLogP of 0.50, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-cyano-3-(2-methylpyrazol-3-yl)prop-2-enoate is sourced from PubChem (CID 122525928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).