N-(6-hydroxy-6-methylheptan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

C17H31N3O2 — CID 131933821

IUPACN-(6-hydroxy-6-methylheptan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)NC(C)CCCC(C)(C)O
InChIInChI=1S/C17H31N3O2/c1-12(8-7-11-17(4,5)22)18-16(21)10-9-15-13(2)19-20(6)14(15)3/h12,22H,7-11H2,1-6H3,(H,18,21)
InChIKeyUYOXTPDXXZYVPW-UHFFFAOYSA-N
MW309.45 g/mol
LogP2.42
Rot. Bonds8

About N-(6-hydroxy-6-methylheptan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

N-(6-hydroxy-6-methylheptan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 131933821) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is N-(6-hydroxy-6-methylheptan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(6-hydroxy-6-methylheptan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID131933821
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC NameN-(6-hydroxy-6-methylheptan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)NC(C)CCCC(C)(C)O
InChIInChI=1S/C17H31N3O2/c1-12(8-7-11-17(4,5)22)18-16(21)10-9-15-13(2)19-20(6)14(15)3/h12,22H,7-11H2,1-6H3,(H,18,21)
InChIKeyUYOXTPDXXZYVPW-UHFFFAOYSA-N
XLogP2.42
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(6-hydroxy-6-methylheptan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide 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-[(2S)-butan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 94532619
N-(1-aminopropan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 110834085
N-(3-methylbutan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 47141857
N-[(2S)-4-methyl-4-phenylpentan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 94815263
N-(1-hydroxy-3-methylbutan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 79252559
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 103895626
3-hydroxy-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]butanoic acid
CID 43353725
N-[2-(methylamino)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 120831693
N-(2-hydroxy-2-methylbutyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 65114850
N-[(2R)-2-hydroxypropyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 83031321
4-methyl-4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]pentanoic acid
CID 62043286
N-(4-hydroxy-2-methylbutyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 66106470

Frequently Asked Questions

What is the IUPAC name of N-(6-hydroxy-6-methylheptan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of N-(6-hydroxy-6-methylheptan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 131933821) is N-(6-hydroxy-6-methylheptan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-(6-hydroxy-6-methylheptan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for N-(6-hydroxy-6-methylheptan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nn(C)c(C)c1CCC(=O)NC(C)CCCC(C)(C)O.
What is the InChIKey of N-(6-hydroxy-6-methylheptan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is UYOXTPDXXZYVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-12(8-7-11-17(4,5)22)18-16(21)10-9-15-13(2)19-20(6)14(15)3/h12,22H,7-11H2,1-6H3,(H,18,21).
What are the key properties of N-(6-hydroxy-6-methylheptan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
N-(6-hydroxy-6-methylheptan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 309.45 g/mol, XLogP of 2.42, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-hydroxy-6-methylheptan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 131933821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).