N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

C16H29N3O2 — CID 111697460

IUPACN-[2-(2-hydroxyethyl)-4-methylpentyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1CC(=O)NCC(CCO)CC(C)C
InChIInChI=1S/C16H29N3O2/c1-11(2)8-14(6-7-20)10-17-16(21)9-15-12(3)18-19(5)13(15)4/h11,14,20H,6-10H2,1-5H3,(H,17,21)
InChIKeyJLOYYTJMEFKVPZ-UHFFFAOYSA-N
MW295.43 g/mol
LogP1.74
Rot. Bonds8

About N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 111697460) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethyl)-4-methylpentyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID111697460
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC NameN-[2-(2-hydroxyethyl)-4-methylpentyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1CC(=O)NCC(CCO)CC(C)C
InChIInChI=1S/C16H29N3O2/c1-11(2)8-14(6-7-20)10-17-16(21)9-15-12(3)18-19(5)13(15)4/h11,14,20H,6-10H2,1-5H3,(H,17,21)
InChIKeyJLOYYTJMEFKVPZ-UHFFFAOYSA-N
XLogP1.74
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxy-2-methylbutyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 66106247
N-(3-methylbutyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 110695387
N-[2-(methylamino)propyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide;dihydrochloride
CID 120828294
N-(4-hydroxy-2-methylbutyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 66106470
(2R)-4-methyl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]pentanoic acid
CID 78975678
2-methoxy-3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]propanoic acid
CID 114144238
N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 60705335
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-(2-hydroxy-4-methylpentyl)acetamide
CID 110027961
N-[(2S)-2-hydroxy-2-phenylethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 93033990
N-[(2R)-2-(N-methylanilino)propyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 51728407
3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]butanoic acid
CID 43360913
N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-(6-methyl-3-pyridinyl)acetamide
CID 111697438

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 111697460) is N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1nn(C)c(C)c1CC(=O)NCC(CCO)CC(C)C.
What is the InChIKey of N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is JLOYYTJMEFKVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-11(2)8-14(6-7-20)10-17-16(21)9-15-12(3)18-19(5)13(15)4/h11,14,20H,6-10H2,1-5H3,(H,17,21).
What are the key properties of N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 295.43 g/mol, XLogP of 1.74, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 111697460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).