3-N,5-N-dibutyl-1H-pyrazole-3,5-dicarboxamide

C13H22N4O2 — CID 71346088

IUPAC3-N,5-N-dibutyl-1H-pyrazole-3,5-dicarboxamide
SMILESCCCCNC(=O)c1cc(C(=O)NCCCC)[nH]n1
InChIInChI=1S/C13H22N4O2/c1-3-5-7-14-12(18)10-9-11(17-16-10)13(19)15-8-6-4-2/h9H,3-8H2,1-2H3,(H,14,18)(H,15,19)(H,16,17)
InChIKeyIJSWPBVTZBWCES-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.47
Rot. Bonds8

About 3-N,5-N-dibutyl-1H-pyrazole-3,5-dicarboxamide

3-N,5-N-dibutyl-1H-pyrazole-3,5-dicarboxamide (PubChem CID 71346088) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-N,5-N-dibutyl-1H-pyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N,5-N-dibutyl-1H-pyrazole-3,5-dicarboxamide
PubChem CID71346088
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name3-N,5-N-dibutyl-1H-pyrazole-3,5-dicarboxamide
SMILESCCCCNC(=O)c1cc(C(=O)NCCCC)[nH]n1
InChIInChI=1S/C13H22N4O2/c1-3-5-7-14-12(18)10-9-11(17-16-10)13(19)15-8-6-4-2/h9H,3-8H2,1-2H3,(H,14,18)(H,15,19)(H,16,17)
InChIKeyIJSWPBVTZBWCES-UHFFFAOYSA-N
XLogP1.47
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-N,5-N-bis(2-hydroxyethyl)-1H-pyrazole-3,5-dicarboxamide
CID 163353826
3-amino-N-pentyl-1H-pyrazole-5-carboxamide
CID 64525391
N-pentyl-5-propyl-1H-pyrazole-3-carboxamide
CID 36701505
N-butyl-4-oxo-1H-pyridazine-6-carboxamide
CID 172999728
3-amino-N-[3-(diethylamino)propyl]-1H-pyrazole-5-carboxamide
CID 64524402
3-amino-N-(4-hydroxybutyl)-1H-pyrazole-5-carboxamide
CID 106840125
5-(furan-2-yl)-N-pentyl-1H-pyrazole-3-carboxamide
CID 25348232
N-(5-hydroxypentyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 110484276
3-(4-chlorophenyl)-N-octadecyl-1H-pyrazole-5-carboxamide
CID 19509334
N-(3-ethoxypropyl)-5-ethyl-1H-pyrazole-3-carboxamide
CID 78861290
N-[4-(diethylamino)butyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 110484320
N-(6-bromohexyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 141446683

Frequently Asked Questions

What is the IUPAC name of 3-N,5-N-dibutyl-1H-pyrazole-3,5-dicarboxamide?
The IUPAC name of 3-N,5-N-dibutyl-1H-pyrazole-3,5-dicarboxamide (CID 71346088) is 3-N,5-N-dibutyl-1H-pyrazole-3,5-dicarboxamide.
What is the SMILES notation for 3-N,5-N-dibutyl-1H-pyrazole-3,5-dicarboxamide?
The canonical SMILES for 3-N,5-N-dibutyl-1H-pyrazole-3,5-dicarboxamide is CCCCNC(=O)c1cc(C(=O)NCCCC)[nH]n1.
What is the InChIKey of 3-N,5-N-dibutyl-1H-pyrazole-3,5-dicarboxamide?
The InChIKey is IJSWPBVTZBWCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-3-5-7-14-12(18)10-9-11(17-16-10)13(19)15-8-6-4-2/h9H,3-8H2,1-2H3,(H,14,18)(H,15,19)(H,16,17).
What are the key properties of 3-N,5-N-dibutyl-1H-pyrazole-3,5-dicarboxamide?
3-N,5-N-dibutyl-1H-pyrazole-3,5-dicarboxamide has a molecular weight of 266.34 g/mol, XLogP of 1.47, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,5-N-dibutyl-1H-pyrazole-3,5-dicarboxamide is sourced from PubChem (CID 71346088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).