N-(2-butoxyethyl)-1H-pyrazole-4-carboxamide

C10H17N3O2 — CID 61176253

IUPACN-(2-butoxyethyl)-1H-pyrazole-4-carboxamide
SMILESCCCCOCCNC(=O)c1cn[nH]c1
InChIInChI=1S/C10H17N3O2/c1-2-3-5-15-6-4-11-10(14)9-7-12-13-8-9/h7-8H,2-6H2,1H3,(H,11,14)(H,12,13)
InChIKeyNKYODJLTESBANY-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.96
Rot. Bonds7

About N-(2-butoxyethyl)-1H-pyrazole-4-carboxamide

N-(2-butoxyethyl)-1H-pyrazole-4-carboxamide (PubChem CID 61176253) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is N-(2-butoxyethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-butoxyethyl)-1H-pyrazole-4-carboxamide
PubChem CID61176253
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC NameN-(2-butoxyethyl)-1H-pyrazole-4-carboxamide
SMILESCCCCOCCNC(=O)c1cn[nH]c1
InChIInChI=1S/C10H17N3O2/c1-2-3-5-15-6-4-11-10(14)9-7-12-13-8-9/h7-8H,2-6H2,1H3,(H,11,14)(H,12,13)
InChIKeyNKYODJLTESBANY-UHFFFAOYSA-N
XLogP0.96
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 N-(2-butoxyethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(2-butoxyethyl)-1H-pyrazole-4-carboxamide (CID 61176253) is N-(2-butoxyethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(2-butoxyethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(2-butoxyethyl)-1H-pyrazole-4-carboxamide is CCCCOCCNC(=O)c1cn[nH]c1.
What is the InChIKey of N-(2-butoxyethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is NKYODJLTESBANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-2-3-5-15-6-4-11-10(14)9-7-12-13-8-9/h7-8H,2-6H2,1H3,(H,11,14)(H,12,13).
What are the key properties of N-(2-butoxyethyl)-1H-pyrazole-4-carboxamide?
N-(2-butoxyethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 211.26 g/mol, XLogP of 0.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 61176253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).