N-(3-ethoxypropyl)-5-ethyl-1H-pyrazole-3-carboxamide

C11H19N3O2 — CID 78861290

IUPACN-(3-ethoxypropyl)-5-ethyl-1H-pyrazole-3-carboxamide
SMILESCCOCCCNC(=O)c1cc(CC)[nH]n1
InChIInChI=1S/C11H19N3O2/c1-3-9-8-10(14-13-9)11(15)12-6-5-7-16-4-2/h8H,3-7H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyMRKBIVLEVMHUBY-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.13
Rot. Bonds7

About N-(3-ethoxypropyl)-5-ethyl-1H-pyrazole-3-carboxamide

N-(3-ethoxypropyl)-5-ethyl-1H-pyrazole-3-carboxamide (PubChem CID 78861290) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-5-ethyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-5-ethyl-1H-pyrazole-3-carboxamide
PubChem CID78861290
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC NameN-(3-ethoxypropyl)-5-ethyl-1H-pyrazole-3-carboxamide
SMILESCCOCCCNC(=O)c1cc(CC)[nH]n1
InChIInChI=1S/C11H19N3O2/c1-3-9-8-10(14-13-9)11(15)12-6-5-7-16-4-2/h8H,3-7H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyMRKBIVLEVMHUBY-UHFFFAOYSA-N
XLogP1.13
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-ethoxypropyl)-5-ethyl-1H-pyrazole-3-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

5-ethyl-N-[2-(3-fluorophenoxy)ethyl]-1H-pyrazole-3-carboxamide
CID 86981435
N-pentyl-5-propyl-1H-pyrazole-3-carboxamide
CID 36701505
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5-ethyl-1H-pyrazole-3-carboxamide
CID 78879680
N-(3-methoxypropyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 47213767
N-(5-hydroxypentyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 110484276
methyl 5-ethyl-1H-pyrazole-3-carboxylate
CID 43428294
3-N,5-N-dibutyl-1H-pyrazole-3,5-dicarboxamide
CID 71346088
2,6-dichloro-N-(3-ethoxypropyl)pyridine-4-carboxamide
CID 43090785
methyl 5-[(5-methyl-1H-pyrazole-3-carbonyl)amino]pentanoate
CID 86848865
4-amino-N-(3-ethoxypropyl)-1H-pyrrole-2-carboxamide
CID 43642461
4-bromo-N-(3-ethoxypropyl)-1H-pyrrole-2-carboxamide
CID 18108948
5-propan-2-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]-1H-pyrazole-3-carboxamide
CID 87016232

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-5-ethyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(3-ethoxypropyl)-5-ethyl-1H-pyrazole-3-carboxamide (CID 78861290) is N-(3-ethoxypropyl)-5-ethyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-5-ethyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-5-ethyl-1H-pyrazole-3-carboxamide is CCOCCCNC(=O)c1cc(CC)[nH]n1.
What is the InChIKey of N-(3-ethoxypropyl)-5-ethyl-1H-pyrazole-3-carboxamide?
The InChIKey is MRKBIVLEVMHUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-3-9-8-10(14-13-9)11(15)12-6-5-7-16-4-2/h8H,3-7H2,1-2H3,(H,12,15)(H,13,14).
What are the key properties of N-(3-ethoxypropyl)-5-ethyl-1H-pyrazole-3-carboxamide?
N-(3-ethoxypropyl)-5-ethyl-1H-pyrazole-3-carboxamide has a molecular weight of 225.29 g/mol, XLogP of 1.13, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-5-ethyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 78861290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).