1-(4-formyl-1,3-dimethylpyrazol-5-yl)piperidine-4-carboxamide

C12H18N4O2 — CID 28951478

IUPAC1-(4-formyl-1,3-dimethylpyrazol-5-yl)piperidine-4-carboxamide
SMILESCc1nn(C)c(N2CCC(C(N)=O)CC2)c1C=O
InChIInChI=1S/C12H18N4O2/c1-8-10(7-17)12(15(2)14-8)16-5-3-9(4-6-16)11(13)18/h7,9H,3-6H2,1-2H3,(H2,13,18)
InChIKeyNTDVERAVYJYNQV-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.24
Rot. Bonds3

About 1-(4-formyl-1,3-dimethylpyrazol-5-yl)piperidine-4-carboxamide

1-(4-formyl-1,3-dimethylpyrazol-5-yl)piperidine-4-carboxamide (PubChem CID 28951478) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-(4-formyl-1,3-dimethylpyrazol-5-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-formyl-1,3-dimethylpyrazol-5-yl)piperidine-4-carboxamide
PubChem CID28951478
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name1-(4-formyl-1,3-dimethylpyrazol-5-yl)piperidine-4-carboxamide
SMILESCc1nn(C)c(N2CCC(C(N)=O)CC2)c1C=O
InChIInChI=1S/C12H18N4O2/c1-8-10(7-17)12(15(2)14-8)16-5-3-9(4-6-16)11(13)18/h7,9H,3-6H2,1-2H3,(H2,13,18)
InChIKeyNTDVERAVYJYNQV-UHFFFAOYSA-N
XLogP0.24
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-formyl-1,3-dimethylpyrazol-5-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-formyl-1,3-dimethylpyrazol-5-yl)piperidine-4-carboxamide (CID 28951478) is 1-(4-formyl-1,3-dimethylpyrazol-5-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-formyl-1,3-dimethylpyrazol-5-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-formyl-1,3-dimethylpyrazol-5-yl)piperidine-4-carboxamide is Cc1nn(C)c(N2CCC(C(N)=O)CC2)c1C=O.
What is the InChIKey of 1-(4-formyl-1,3-dimethylpyrazol-5-yl)piperidine-4-carboxamide?
The InChIKey is NTDVERAVYJYNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-8-10(7-17)12(15(2)14-8)16-5-3-9(4-6-16)11(13)18/h7,9H,3-6H2,1-2H3,(H2,13,18).
What are the key properties of 1-(4-formyl-1,3-dimethylpyrazol-5-yl)piperidine-4-carboxamide?
1-(4-formyl-1,3-dimethylpyrazol-5-yl)piperidine-4-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-formyl-1,3-dimethylpyrazol-5-yl)piperidine-4-carboxamide is sourced from PubChem (CID 28951478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).