Skip to content

1-(4-cyanooxan-3-yl)-3-methylpyrazole-4-carboxamide

C11H14N4O2 — CID 154933810

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-(4-cyanooxan-3-yl)-3-methylpyrazole-4-carboxamide
SMILESCc1nn(C2COCCC2C#N)cc1C(N)=O
InChIInChI=1S/C11H14N4O2/c1-7-9(11(13)16)5-15(14-7)10-6-17-3-2-8(10)4-12/h5,8,10H,2-3,6H2,1H3,(H2,13,16)
InChIKeyREKPCPZTABLHQV-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.39
Rot. Bonds2

About 1-(4-cyanooxan-3-yl)-3-methylpyrazole-4-carboxamide

1-(4-cyanooxan-3-yl)-3-methylpyrazole-4-carboxamide (PubChem CID 154933810) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 1-(4-cyanooxan-3-yl)-3-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-cyanooxan-3-yl)-3-methylpyrazole-4-carboxamide
PubChem CID154933810
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name1-(4-cyanooxan-3-yl)-3-methylpyrazole-4-carboxamide
SMILESCc1nn(C2COCCC2C#N)cc1C(N)=O
InChIInChI=1S/C11H14N4O2/c1-7-9(11(13)16)5-15(14-7)10-6-17-3-2-8(10)4-12/h5,8,10H,2-3,6H2,1H3,(H2,13,16)
InChIKeyREKPCPZTABLHQV-UHFFFAOYSA-N
XLogP0.39
TPSA93.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-cyanooxan-3-yl)-3-methylpyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanooxan-3-yl)-3-methylpyrazole-4-carboxamide?
The IUPAC name of 1-(4-cyanooxan-3-yl)-3-methylpyrazole-4-carboxamide (CID 154933810) is 1-(4-cyanooxan-3-yl)-3-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-cyanooxan-3-yl)-3-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-(4-cyanooxan-3-yl)-3-methylpyrazole-4-carboxamide is Cc1nn(C2COCCC2C#N)cc1C(N)=O.
What is the InChIKey of 1-(4-cyanooxan-3-yl)-3-methylpyrazole-4-carboxamide?
The InChIKey is REKPCPZTABLHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-7-9(11(13)16)5-15(14-7)10-6-17-3-2-8(10)4-12/h5,8,10H,2-3,6H2,1H3,(H2,13,16).
What are the key properties of 1-(4-cyanooxan-3-yl)-3-methylpyrazole-4-carboxamide?
1-(4-cyanooxan-3-yl)-3-methylpyrazole-4-carboxamide has a molecular weight of 234.26 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanooxan-3-yl)-3-methylpyrazole-4-carboxamide is sourced from PubChem (CID 154933810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.