3-ethyl-N-(2-hydroxy-3-methylbutyl)-1-methylpyrazole-4-carboxamide

C12H21N3O2 — CID 103894225

IUPAC3-ethyl-N-(2-hydroxy-3-methylbutyl)-1-methylpyrazole-4-carboxamide
SMILESCCc1nn(C)cc1C(=O)NCC(O)C(C)C
InChIInChI=1S/C12H21N3O2/c1-5-10-9(7-15(4)14-10)12(17)13-6-11(16)8(2)3/h7-8,11,16H,5-6H2,1-4H3,(H,13,17)
InChIKeyUYGQFNRSSGRKQG-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.73
Rot. Bonds5

About 3-ethyl-N-(2-hydroxy-3-methylbutyl)-1-methylpyrazole-4-carboxamide

3-ethyl-N-(2-hydroxy-3-methylbutyl)-1-methylpyrazole-4-carboxamide (PubChem CID 103894225) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-ethyl-N-(2-hydroxy-3-methylbutyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-(2-hydroxy-3-methylbutyl)-1-methylpyrazole-4-carboxamide
PubChem CID103894225
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name3-ethyl-N-(2-hydroxy-3-methylbutyl)-1-methylpyrazole-4-carboxamide
SMILESCCc1nn(C)cc1C(=O)NCC(O)C(C)C
InChIInChI=1S/C12H21N3O2/c1-5-10-9(7-15(4)14-10)12(17)13-6-11(16)8(2)3/h7-8,11,16H,5-6H2,1-4H3,(H,13,17)
InChIKeyUYGQFNRSSGRKQG-UHFFFAOYSA-N
XLogP0.73
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-ethyl-N-(2-hydroxy-3-methylbutyl)-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-(3,3-difluoro-2-hydroxypropyl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 103894223
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
4-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2-methylbutanoic acid
CID 102810267
N-(2-chloroethyl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102810778
2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-3-methylbutanoic acid
CID 102810054
3-ethyl-N-[2-(ethylamino)ethyl]-1-methylpyrazole-4-carboxamide
CID 102810944
3-ethyl-N-[(2R)-1-hydroxypropan-2-yl]-1-methylpyrazole-4-carboxamide
CID 102810885
3-ethyl-N-(1-hydroxy-4-methylpentan-3-yl)-1-methylpyrazole-4-carboxamide
CID 103894208
N-(4-aminobutan-2-yl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102809915
3-ethyl-N-(6-hydroxyhexyl)-1-methylpyrazole-4-carboxamide
CID 103919211
N-[(E)-4-chlorobut-2-enyl]-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102810780

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(2-hydroxy-3-methylbutyl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of 3-ethyl-N-(2-hydroxy-3-methylbutyl)-1-methylpyrazole-4-carboxamide (CID 103894225) is 3-ethyl-N-(2-hydroxy-3-methylbutyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 3-ethyl-N-(2-hydroxy-3-methylbutyl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 3-ethyl-N-(2-hydroxy-3-methylbutyl)-1-methylpyrazole-4-carboxamide is CCc1nn(C)cc1C(=O)NCC(O)C(C)C.
What is the InChIKey of 3-ethyl-N-(2-hydroxy-3-methylbutyl)-1-methylpyrazole-4-carboxamide?
The InChIKey is UYGQFNRSSGRKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-5-10-9(7-15(4)14-10)12(17)13-6-11(16)8(2)3/h7-8,11,16H,5-6H2,1-4H3,(H,13,17).
What are the key properties of 3-ethyl-N-(2-hydroxy-3-methylbutyl)-1-methylpyrazole-4-carboxamide?
3-ethyl-N-(2-hydroxy-3-methylbutyl)-1-methylpyrazole-4-carboxamide has a molecular weight of 239.32 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(2-hydroxy-3-methylbutyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 103894225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).