5-methyl-1-propyl-N-[3-(triazol-1-yl)propyl]pyrazole-4-carboxamide

C13H20N6O — CID 72931611

IUPAC5-methyl-1-propyl-N-[3-(triazol-1-yl)propyl]pyrazole-4-carboxamide
SMILESCCCn1ncc(C(=O)NCCCn2ccnn2)c1C
InChIInChI=1S/C13H20N6O/c1-3-7-19-11(2)12(10-16-19)13(20)14-5-4-8-18-9-6-15-17-18/h6,9-10H,3-5,7-8H2,1-2H3,(H,14,20)
InChIKeyNPEPTBZCYXSXRA-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.01
Rot. Bonds7

About 5-methyl-1-propyl-N-[3-(triazol-1-yl)propyl]pyrazole-4-carboxamide

5-methyl-1-propyl-N-[3-(triazol-1-yl)propyl]pyrazole-4-carboxamide (PubChem CID 72931611) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is 5-methyl-1-propyl-N-[3-(triazol-1-yl)propyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-1-propyl-N-[3-(triazol-1-yl)propyl]pyrazole-4-carboxamide
PubChem CID72931611
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC Name5-methyl-1-propyl-N-[3-(triazol-1-yl)propyl]pyrazole-4-carboxamide
SMILESCCCn1ncc(C(=O)NCCCn2ccnn2)c1C
InChIInChI=1S/C13H20N6O/c1-3-7-19-11(2)12(10-16-19)13(20)14-5-4-8-18-9-6-15-17-18/h6,9-10H,3-5,7-8H2,1-2H3,(H,14,20)
InChIKeyNPEPTBZCYXSXRA-UHFFFAOYSA-N
XLogP1.01
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-methyl-1-propyl-N-[3-(triazol-1-yl)propyl]pyrazole-4-carboxamide?
The IUPAC name of 5-methyl-1-propyl-N-[3-(triazol-1-yl)propyl]pyrazole-4-carboxamide (CID 72931611) is 5-methyl-1-propyl-N-[3-(triazol-1-yl)propyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-1-propyl-N-[3-(triazol-1-yl)propyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-1-propyl-N-[3-(triazol-1-yl)propyl]pyrazole-4-carboxamide is CCCn1ncc(C(=O)NCCCn2ccnn2)c1C.
What is the InChIKey of 5-methyl-1-propyl-N-[3-(triazol-1-yl)propyl]pyrazole-4-carboxamide?
The InChIKey is NPEPTBZCYXSXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O/c1-3-7-19-11(2)12(10-16-19)13(20)14-5-4-8-18-9-6-15-17-18/h6,9-10H,3-5,7-8H2,1-2H3,(H,14,20).
What are the key properties of 5-methyl-1-propyl-N-[3-(triazol-1-yl)propyl]pyrazole-4-carboxamide?
5-methyl-1-propyl-N-[3-(triazol-1-yl)propyl]pyrazole-4-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 1.01, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-propyl-N-[3-(triazol-1-yl)propyl]pyrazole-4-carboxamide is sourced from PubChem (CID 72931611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).