5-amino-3-methyl-1-octylpyrazole-4-carboxamide

C13H24N4O — CID 21266077

IUPAC5-amino-3-methyl-1-octylpyrazole-4-carboxamide
SMILESCCCCCCCCn1nc(C)c(C(N)=O)c1N
InChIInChI=1S/C13H24N4O/c1-3-4-5-6-7-8-9-17-12(14)11(13(15)18)10(2)16-17/h3-9,14H2,1-2H3,(H2,15,18)
InChIKeyQRUIPVDUGWFSDB-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.23
Rot. Bonds8

About 5-amino-3-methyl-1-octylpyrazole-4-carboxamide

5-amino-3-methyl-1-octylpyrazole-4-carboxamide (PubChem CID 21266077) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 5-amino-3-methyl-1-octylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-methyl-1-octylpyrazole-4-carboxamide
PubChem CID21266077
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name5-amino-3-methyl-1-octylpyrazole-4-carboxamide
SMILESCCCCCCCCn1nc(C)c(C(N)=O)c1N
InChIInChI=1S/C13H24N4O/c1-3-4-5-6-7-8-9-17-12(14)11(13(15)18)10(2)16-17/h3-9,14H2,1-2H3,(H2,15,18)
InChIKeyQRUIPVDUGWFSDB-UHFFFAOYSA-N
XLogP2.23
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-methyl-1-octylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-methyl-1-octylpyrazole-4-carboxamide (CID 21266077) is 5-amino-3-methyl-1-octylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-methyl-1-octylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-methyl-1-octylpyrazole-4-carboxamide is CCCCCCCCn1nc(C)c(C(N)=O)c1N.
What is the InChIKey of 5-amino-3-methyl-1-octylpyrazole-4-carboxamide?
The InChIKey is QRUIPVDUGWFSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-3-4-5-6-7-8-9-17-12(14)11(13(15)18)10(2)16-17/h3-9,14H2,1-2H3,(H2,15,18).
What are the key properties of 5-amino-3-methyl-1-octylpyrazole-4-carboxamide?
5-amino-3-methyl-1-octylpyrazole-4-carboxamide has a molecular weight of 252.36 g/mol, XLogP of 2.23, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-methyl-1-octylpyrazole-4-carboxamide is sourced from PubChem (CID 21266077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).