N-(3-ethoxypropyl)-1H-pyrazole-4-carboxamide

C9H15N3O2 — CID 43582685

IUPACN-(3-ethoxypropyl)-1H-pyrazole-4-carboxamide
SMILESCCOCCCNC(=O)c1cn[nH]c1
InChIInChI=1S/C9H15N3O2/c1-2-14-5-3-4-10-9(13)8-6-11-12-7-8/h6-7H,2-5H2,1H3,(H,10,13)(H,11,12)
InChIKeyFHSLOXMFEGEVJQ-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.57
Rot. Bonds6

About N-(3-ethoxypropyl)-1H-pyrazole-4-carboxamide

N-(3-ethoxypropyl)-1H-pyrazole-4-carboxamide (PubChem CID 43582685) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-1H-pyrazole-4-carboxamide
PubChem CID43582685
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC NameN-(3-ethoxypropyl)-1H-pyrazole-4-carboxamide
SMILESCCOCCCNC(=O)c1cn[nH]c1
InChIInChI=1S/C9H15N3O2/c1-2-14-5-3-4-10-9(13)8-6-11-12-7-8/h6-7H,2-5H2,1H3,(H,10,13)(H,11,12)
InChIKeyFHSLOXMFEGEVJQ-UHFFFAOYSA-N
XLogP0.57
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.57
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-(3-ethoxypropyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(3-ethoxypropyl)-1H-pyrazole-4-carboxamide (CID 43582685) is N-(3-ethoxypropyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-1H-pyrazole-4-carboxamide is CCOCCCNC(=O)c1cn[nH]c1.
What is the InChIKey of N-(3-ethoxypropyl)-1H-pyrazole-4-carboxamide?
The InChIKey is FHSLOXMFEGEVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-2-14-5-3-4-10-9(13)8-6-11-12-7-8/h6-7H,2-5H2,1H3,(H,10,13)(H,11,12).
What are the key properties of N-(3-ethoxypropyl)-1H-pyrazole-4-carboxamide?
N-(3-ethoxypropyl)-1H-pyrazole-4-carboxamide has a molecular weight of 197.24 g/mol, XLogP of 0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 43582685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).