N-butan-2-yl-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

C13H23N3O — CID 134006182

IUPACN-butan-2-yl-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCCC(C)N(C)C(=O)Cc1c(C)nn(C)c1C
InChIInChI=1S/C13H23N3O/c1-7-9(2)15(5)13(17)8-12-10(3)14-16(6)11(12)4/h9H,7-8H2,1-6H3
InChIKeyQJTPTRWLISEGLS-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.84
Rot. Bonds4

About N-butan-2-yl-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

N-butan-2-yl-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 134006182) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-butan-2-yl-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID134006182
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-butan-2-yl-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCCC(C)N(C)C(=O)Cc1c(C)nn(C)c1C
InChIInChI=1S/C13H23N3O/c1-7-9(2)15(5)13(17)8-12-10(3)14-16(6)11(12)4/h9H,7-8H2,1-6H3
InChIKeyQJTPTRWLISEGLS-UHFFFAOYSA-N
XLogP1.84
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminopropan-2-yl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 119583409
N-(2-hydroxyethyl)-N-propan-2-yl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 43573797
4-methyl-1-(1,3,5-trimethylpyrazol-4-yl)heptan-2-one
CID 105091343
3-[propan-2-yl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]propanoic acid
CID 60831751
N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 46550846
N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 30212742
N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 24666957
ethyl 2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]propanoate
CID 61342578
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 119654378
2-[2-(dimethylamino)ethyl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]acetic acid
CID 103802828
N-[(4-methoxyphenyl)methyl]-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 30749972
2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]propanoic acid
CID 64686967

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of N-butan-2-yl-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 134006182) is N-butan-2-yl-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-butan-2-yl-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for N-butan-2-yl-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is CCC(C)N(C)C(=O)Cc1c(C)nn(C)c1C.
What is the InChIKey of N-butan-2-yl-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is QJTPTRWLISEGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-7-9(2)15(5)13(17)8-12-10(3)14-16(6)11(12)4/h9H,7-8H2,1-6H3.
What are the key properties of N-butan-2-yl-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
N-butan-2-yl-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 237.35 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 134006182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).