3-ethyl-N-(6-hydroxyhexyl)-1-methylpyrazole-4-carboxamide

C13H23N3O2 — CID 103919211

IUPAC3-ethyl-N-(6-hydroxyhexyl)-1-methylpyrazole-4-carboxamide
SMILESCCc1nn(C)cc1C(=O)NCCCCCCO
InChIInChI=1S/C13H23N3O2/c1-3-12-11(10-16(2)15-12)13(18)14-8-6-4-5-7-9-17/h10,17H,3-9H2,1-2H3,(H,14,18)
InChIKeyKCVLCCRERCRKBQ-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.26
Rot. Bonds8

About 3-ethyl-N-(6-hydroxyhexyl)-1-methylpyrazole-4-carboxamide

3-ethyl-N-(6-hydroxyhexyl)-1-methylpyrazole-4-carboxamide (PubChem CID 103919211) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 3-ethyl-N-(6-hydroxyhexyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-(6-hydroxyhexyl)-1-methylpyrazole-4-carboxamide
PubChem CID103919211
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name3-ethyl-N-(6-hydroxyhexyl)-1-methylpyrazole-4-carboxamide
SMILESCCc1nn(C)cc1C(=O)NCCCCCCO
InChIInChI=1S/C13H23N3O2/c1-3-12-11(10-16(2)15-12)13(18)14-8-6-4-5-7-9-17/h10,17H,3-9H2,1-2H3,(H,14,18)
InChIKeyKCVLCCRERCRKBQ-UHFFFAOYSA-N
XLogP1.26
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-ethyl-N-(6-hydroxyhexyl)-1-methylpyrazole-4-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

N-(2-chloroethyl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102810778
3-ethyl-N-[2-(ethylamino)ethyl]-1-methylpyrazole-4-carboxamide
CID 102810944
4-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2-methylbutanoic acid
CID 102810267
3-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]-1-methylpyrazole-4-carboxamide
CID 107231636
2-[2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]ethoxy]acetic acid
CID 102810256
4-[(3-ethyl-1-methylpyrazol-4-yl)amino]butan-1-ol
CID 107462832
N-(5-aminopentyl)-1,3-dimethylpyrazole-4-carboxamide
CID 102801078
N-(2-bromopropyl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102811310
(2S)-3-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2-hydroxypropanoic acid
CID 107833163
N-[(E)-4-chlorobut-2-enyl]-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102810780
3-ethyl-N-(2-hydroxy-3-methylbutyl)-1-methylpyrazole-4-carboxamide
CID 103894225
1-methyl-3-(octadecylcarbamoyl)pyrazole-4-carboxylic acid
CID 19496514

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(6-hydroxyhexyl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of 3-ethyl-N-(6-hydroxyhexyl)-1-methylpyrazole-4-carboxamide (CID 103919211) is 3-ethyl-N-(6-hydroxyhexyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 3-ethyl-N-(6-hydroxyhexyl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 3-ethyl-N-(6-hydroxyhexyl)-1-methylpyrazole-4-carboxamide is CCc1nn(C)cc1C(=O)NCCCCCCO.
What is the InChIKey of 3-ethyl-N-(6-hydroxyhexyl)-1-methylpyrazole-4-carboxamide?
The InChIKey is KCVLCCRERCRKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-3-12-11(10-16(2)15-12)13(18)14-8-6-4-5-7-9-17/h10,17H,3-9H2,1-2H3,(H,14,18).
What are the key properties of 3-ethyl-N-(6-hydroxyhexyl)-1-methylpyrazole-4-carboxamide?
3-ethyl-N-(6-hydroxyhexyl)-1-methylpyrazole-4-carboxamide has a molecular weight of 253.35 g/mol, XLogP of 1.26, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(6-hydroxyhexyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 103919211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).