N-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-5-carboxamide

C10H15N3O2 — CID 115700228

IUPACN-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-5-carboxamide
SMILESC=C(C)COCCNC(=O)c1ccn[nH]1
InChIInChI=1S/C10H15N3O2/c1-8(2)7-15-6-5-11-10(14)9-3-4-12-13-9/h3-4H,1,5-7H2,2H3,(H,11,14)(H,12,13)
InChIKeyNAAFFTRKRDSMTP-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.73
Rot. Bonds6

About N-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-5-carboxamide

N-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-5-carboxamide (PubChem CID 115700228) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is N-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-5-carboxamide
PubChem CID115700228
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC NameN-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-5-carboxamide
SMILESC=C(C)COCCNC(=O)c1ccn[nH]1
InChIInChI=1S/C10H15N3O2/c1-8(2)7-15-6-5-11-10(14)9-3-4-12-13-9/h3-4H,1,5-7H2,2H3,(H,11,14)(H,12,13)
InChIKeyNAAFFTRKRDSMTP-UHFFFAOYSA-N
XLogP0.73
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-5-carboxamide
CID 114464789
3-bromo-N-[2-(2-methylprop-2-enoxy)ethyl]pyridine-2-carboxamide
CID 107519429
N-[2-(2-methylprop-2-enoxy)ethyl]pyridazine-4-carboxamide
CID 115769401
N-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-5-sulfonamide
CID 102691011
N-(2-sulfamoylethyl)-1H-pyrazole-5-carboxamide
CID 61067022
N-(2-naphthalen-1-yloxyethyl)-1H-pyrazole-5-carboxamide
CID 71939309
5-bromo-2-iodo-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 113258386
4-(acetamidomethyl)-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 115699892
N-[2-[bis(ethylamino)methylideneamino]ethyl]-1H-pyrazole-5-carboxamide
CID 110017698
1-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrole-2-carboxamide
CID 115699871
N-(2,2,2-trifluoroethoxymethyl)-1H-pyrazole-5-carboxamide
CID 157116190
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 64546063

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-5-carboxamide (CID 115700228) is N-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-5-carboxamide is C=C(C)COCCNC(=O)c1ccn[nH]1.
What is the InChIKey of N-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-5-carboxamide?
The InChIKey is NAAFFTRKRDSMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-8(2)7-15-6-5-11-10(14)9-3-4-12-13-9/h3-4H,1,5-7H2,2H3,(H,11,14)(H,12,13).
What are the key properties of N-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-5-carboxamide?
N-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-5-carboxamide has a molecular weight of 209.25 g/mol, XLogP of 0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 115700228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).