2-cyano-3-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enamide

C10H12N4O — CID 3551307

IUPAC2-cyano-3-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enamide
SMILESCCn1ncc(C=C(C#N)C(N)=O)c1C
InChIInChI=1S/C10H12N4O/c1-3-14-7(2)9(6-13-14)4-8(5-11)10(12)15/h4,6H,3H2,1-2H3,(H2,12,15)
InChIKeyWKKZJNCXGPDAMJ-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.60
Rot. Bonds3

About 2-cyano-3-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enamide

2-cyano-3-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enamide (PubChem CID 3551307) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-cyano-3-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enamide.

Molecular Properties

Compound Name2-cyano-3-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enamide
PubChem CID3551307
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name2-cyano-3-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enamide
SMILESCCn1ncc(C=C(C#N)C(N)=O)c1C
InChIInChI=1S/C10H12N4O/c1-3-14-7(2)9(6-13-14)4-8(5-11)10(12)15/h4,6H,3H2,1-2H3,(H2,12,15)
InChIKeyWKKZJNCXGPDAMJ-UHFFFAOYSA-N
XLogP0.60
TPSA84.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-cyano-3-(1,3-dimethyl-1H-pyrazol-4-yl)acrylamide
CID 840773
(E)-1-cyclopropyl-3-(1-ethyl-5-methylpyrazol-4-yl)prop-2-en-1-one
CID 843029
(E)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 844533
N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-3-(1-methyl-1H-pyrazol-4-yl)acrylamide
CID 1235959
N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-3-(1-ethyl-5-methyl-1H-pyrazol-4-yl)acrylamide
CID 844536
N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(1-ethyl-5-methyl-1H-pyrazol-4-yl)acrylamide
CID 844508
2-cyano-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)acrylamide
CID 843209
3-(4-Chloro-1-methylpyrazol-3-yl)-2-cyanoprop-2-enamide
CID 2726895
2-[[1-(2-Cyanoethyl)-3-methylpyrazol-4-yl]methylidene]propanedinitrile
CID 2309217
3-[3-Methyl-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]pyrazol-1-yl]propanenitrile
CID 2316334
ethyl (E)-2-cyano-3-[1-(2-cyanoethyl)-3-methylpyrazol-4-yl]prop-2-enoate
CID 2316455
(E)-3-(4-chloro-1-methylpyrazol-3-yl)-2-cyanoprop-2-enamide
CID 6090012

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enamide?
The IUPAC name of 2-cyano-3-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enamide (CID 3551307) is 2-cyano-3-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enamide.
What is the SMILES notation for 2-cyano-3-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enamide?
The canonical SMILES for 2-cyano-3-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enamide is CCn1ncc(C=C(C#N)C(N)=O)c1C.
What is the InChIKey of 2-cyano-3-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enamide?
The InChIKey is WKKZJNCXGPDAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-3-14-7(2)9(6-13-14)4-8(5-11)10(12)15/h4,6H,3H2,1-2H3,(H2,12,15).
What are the key properties of 2-cyano-3-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enamide?
2-cyano-3-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enamide has a molecular weight of 204.23 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enamide is sourced from PubChem (CID 3551307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).