N-(6-formamidohexyl)-3,5-dimethylpyrazole-1-carboxamide

C13H22N4O2 — CID 89138940

IUPACN-(6-formamidohexyl)-3,5-dimethylpyrazole-1-carboxamide
SMILESCc1cc(C)n(C(=O)NCCCCCCNC=O)n1
InChIInChI=1S/C13H22N4O2/c1-11-9-12(2)17(16-11)13(19)15-8-6-4-3-5-7-14-10-18/h9-10H,3-8H2,1-2H3,(H,14,18)(H,15,19)
InChIKeyCDKPLXRCEIDJDG-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.36
Rot. Bonds8

About N-(6-formamidohexyl)-3,5-dimethylpyrazole-1-carboxamide

N-(6-formamidohexyl)-3,5-dimethylpyrazole-1-carboxamide (PubChem CID 89138940) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-(6-formamidohexyl)-3,5-dimethylpyrazole-1-carboxamide.

Molecular Properties

Compound NameN-(6-formamidohexyl)-3,5-dimethylpyrazole-1-carboxamide
PubChem CID89138940
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC NameN-(6-formamidohexyl)-3,5-dimethylpyrazole-1-carboxamide
SMILESCc1cc(C)n(C(=O)NCCCCCCNC=O)n1
InChIInChI=1S/C13H22N4O2/c1-11-9-12(2)17(16-11)13(19)15-8-6-4-3-5-7-14-10-18/h9-10H,3-8H2,1-2H3,(H,14,18)(H,15,19)
InChIKeyCDKPLXRCEIDJDG-UHFFFAOYSA-N
XLogP1.36
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(6-formamidohexyl)-3,5-dimethylpyrazole-1-carboxamide?
The IUPAC name of N-(6-formamidohexyl)-3,5-dimethylpyrazole-1-carboxamide (CID 89138940) is N-(6-formamidohexyl)-3,5-dimethylpyrazole-1-carboxamide.
What is the SMILES notation for N-(6-formamidohexyl)-3,5-dimethylpyrazole-1-carboxamide?
The canonical SMILES for N-(6-formamidohexyl)-3,5-dimethylpyrazole-1-carboxamide is Cc1cc(C)n(C(=O)NCCCCCCNC=O)n1.
What is the InChIKey of N-(6-formamidohexyl)-3,5-dimethylpyrazole-1-carboxamide?
The InChIKey is CDKPLXRCEIDJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-11-9-12(2)17(16-11)13(19)15-8-6-4-3-5-7-14-10-18/h9-10H,3-8H2,1-2H3,(H,14,18)(H,15,19).
What are the key properties of N-(6-formamidohexyl)-3,5-dimethylpyrazole-1-carboxamide?
N-(6-formamidohexyl)-3,5-dimethylpyrazole-1-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 1.36, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-formamidohexyl)-3,5-dimethylpyrazole-1-carboxamide is sourced from PubChem (CID 89138940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).