5-butoxy-1-phenylpyrazole-3-carboxamide

C14H17N3O2 — CID 3043187

IUPAC5-butoxy-1-phenylpyrazole-3-carboxamide
SMILESCCCCOc1cc(C(N)=O)nn1-c1ccccc1
InChIInChI=1S/C14H17N3O2/c1-2-3-9-19-13-10-12(14(15)18)16-17(13)11-7-5-4-6-8-11/h4-8,10H,2-3,9H2,1H3,(H2,15,18)
InChIKeyAZVFAUKWQQHKCZ-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.15
Rot. Bonds6

About 5-butoxy-1-phenylpyrazole-3-carboxamide

5-butoxy-1-phenylpyrazole-3-carboxamide (PubChem CID 3043187) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 5-butoxy-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-butoxy-1-phenylpyrazole-3-carboxamide
PubChem CID3043187
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name5-butoxy-1-phenylpyrazole-3-carboxamide
SMILESCCCCOc1cc(C(N)=O)nn1-c1ccccc1
InChIInChI=1S/C14H17N3O2/c1-2-3-9-19-13-10-12(14(15)18)16-17(13)11-7-5-4-6-8-11/h4-8,10H,2-3,9H2,1H3,(H2,15,18)
InChIKeyAZVFAUKWQQHKCZ-UHFFFAOYSA-N
XLogP2.15
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.15
H-Bond Donors ≤ 51
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-butoxy-1-phenylpyrazole-3-carboxamide?
The IUPAC name of 5-butoxy-1-phenylpyrazole-3-carboxamide (CID 3043187) is 5-butoxy-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for 5-butoxy-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for 5-butoxy-1-phenylpyrazole-3-carboxamide is CCCCOc1cc(C(N)=O)nn1-c1ccccc1.
What is the InChIKey of 5-butoxy-1-phenylpyrazole-3-carboxamide?
The InChIKey is AZVFAUKWQQHKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-2-3-9-19-13-10-12(14(15)18)16-17(13)11-7-5-4-6-8-11/h4-8,10H,2-3,9H2,1H3,(H2,15,18).
What are the key properties of 5-butoxy-1-phenylpyrazole-3-carboxamide?
5-butoxy-1-phenylpyrazole-3-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butoxy-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 3043187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).