N-(3-methylbutyl)-2-(1-methylpyrazol-4-yl)oxypropanamide

C12H21N3O2 — CID 116793941

IUPACN-(3-methylbutyl)-2-(1-methylpyrazol-4-yl)oxypropanamide
SMILESCC(C)CCNC(=O)C(C)Oc1cnn(C)c1
InChIInChI=1S/C12H21N3O2/c1-9(2)5-6-13-12(16)10(3)17-11-7-14-15(4)8-11/h7-10H,5-6H2,1-4H3,(H,13,16)
InChIKeyFSQMMOGHZNHCBO-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.35
Rot. Bonds6

About N-(3-methylbutyl)-2-(1-methylpyrazol-4-yl)oxypropanamide

N-(3-methylbutyl)-2-(1-methylpyrazol-4-yl)oxypropanamide (PubChem CID 116793941) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-(1-methylpyrazol-4-yl)oxypropanamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-(1-methylpyrazol-4-yl)oxypropanamide
PubChem CID116793941
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-(3-methylbutyl)-2-(1-methylpyrazol-4-yl)oxypropanamide
SMILESCC(C)CCNC(=O)C(C)Oc1cnn(C)c1
InChIInChI=1S/C12H21N3O2/c1-9(2)5-6-13-12(16)10(3)17-11-7-14-15(4)8-11/h7-10H,5-6H2,1-4H3,(H,13,16)
InChIKeyFSQMMOGHZNHCBO-UHFFFAOYSA-N
XLogP1.35
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-(1-methylpyrazol-4-yl)oxypropanamide
CID 116793988
N-(ethylcarbamoyl)-2-(1-methylpyrazol-4-yl)oxypropanamide
CID 116794030
2-(4-methoxyphenoxy)-N-(3-methylbutyl)propanamide
CID 21173373
2-(3,4-dichlorophenoxy)-N-(3-methylbutyl)propanamide
CID 134038130
2-[(6-bromo-3-pyridinyl)oxy]-N-(3-methylbutyl)propanamide
CID 107396677
(2R)-N-[3-(1-methylpyrazol-4-yl)propyl]-2-phenoxypropanamide
CID 94818590
(2S)-2-(3,5-dichlorophenoxy)-N-[2-(1-methylpyrazol-4-yl)ethyl]propanamide
CID 95272121
2-(1-ethylpyrazol-4-yl)oxy-N-methylpropanamide
CID 116804462
N-(3-methylbutyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133235714
N-(3-methylbutyl)-2-[4-(2-oxopropyl)phenoxy]propanamide
CID 115495359
5-methyl-N-[2-(1-methylpyrazol-4-yl)oxyethyl]hexan-2-amine
CID 116793720
N-cyclopropyl-2-(1-ethylpyrazol-4-yl)oxypropanamide
CID 116804714

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-(1-methylpyrazol-4-yl)oxypropanamide?
The IUPAC name of N-(3-methylbutyl)-2-(1-methylpyrazol-4-yl)oxypropanamide (CID 116793941) is N-(3-methylbutyl)-2-(1-methylpyrazol-4-yl)oxypropanamide.
What is the SMILES notation for N-(3-methylbutyl)-2-(1-methylpyrazol-4-yl)oxypropanamide?
The canonical SMILES for N-(3-methylbutyl)-2-(1-methylpyrazol-4-yl)oxypropanamide is CC(C)CCNC(=O)C(C)Oc1cnn(C)c1.
What is the InChIKey of N-(3-methylbutyl)-2-(1-methylpyrazol-4-yl)oxypropanamide?
The InChIKey is FSQMMOGHZNHCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-9(2)5-6-13-12(16)10(3)17-11-7-14-15(4)8-11/h7-10H,5-6H2,1-4H3,(H,13,16).
What are the key properties of N-(3-methylbutyl)-2-(1-methylpyrazol-4-yl)oxypropanamide?
N-(3-methylbutyl)-2-(1-methylpyrazol-4-yl)oxypropanamide has a molecular weight of 239.32 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-(1-methylpyrazol-4-yl)oxypropanamide is sourced from PubChem (CID 116793941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).