2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-N-butan-2-ylacetamide

C12H22N4O — CID 43647498

IUPAC2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)Cn1nc(C)c(CN)c1C
InChIInChI=1S/C12H22N4O/c1-5-8(2)14-12(17)7-16-10(4)11(6-13)9(3)15-16/h8H,5-7,13H2,1-4H3,(H,14,17)
InChIKeyUYOOMAQWNLGCQJ-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.87
Rot. Bonds5

About 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-N-butan-2-ylacetamide

2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-N-butan-2-ylacetamide (PubChem CID 43647498) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-N-butan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-N-butan-2-ylacetamide
PubChem CID43647498
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)Cn1nc(C)c(CN)c1C
InChIInChI=1S/C12H22N4O/c1-5-8(2)14-12(17)7-16-10(4)11(6-13)9(3)15-16/h8H,5-7,13H2,1-4H3,(H,14,17)
InChIKeyUYOOMAQWNLGCQJ-UHFFFAOYSA-N
XLogP0.87
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide
CID 19525213
2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-N-(3-methylbutyl)acetamide
CID 54957515
2-[3,5-dimethyl-4-[(propan-2-ylamino)methyl]pyrazol-1-yl]-N-pentan-2-ylacetamide
CID 61490053
2-[3,5-dimethyl-1-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazol-4-yl]acetic acid
CID 61294263
2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetamide
CID 43647536
2-[3,5-dimethyl-1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]pyrazol-4-yl]acetic acid
CID 61489186
ethyl 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetate;dihydrochloride
CID 86767563
methyl 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetate;dihydrochloride
CID 71757186
propan-2-yl 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetate;hydrochloride
CID 71757919
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(1-methylsulfanylpropan-2-yl)acetamide
CID 113472630
2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-N-(4-chlorophenyl)acetamide
CID 43647566
2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-N-(3-chlorophenyl)acetamide
CID 43647452

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-N-butan-2-ylacetamide?
The IUPAC name of 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-N-butan-2-ylacetamide (CID 43647498) is 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-N-butan-2-ylacetamide.
What is the SMILES notation for 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-N-butan-2-ylacetamide?
The canonical SMILES for 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-N-butan-2-ylacetamide is CCC(C)NC(=O)Cn1nc(C)c(CN)c1C.
What is the InChIKey of 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-N-butan-2-ylacetamide?
The InChIKey is UYOOMAQWNLGCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-5-8(2)14-12(17)7-16-10(4)11(6-13)9(3)15-16/h8H,5-7,13H2,1-4H3,(H,14,17).
What are the key properties of 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-N-butan-2-ylacetamide?
2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-N-butan-2-ylacetamide has a molecular weight of 238.33 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-N-butan-2-ylacetamide is sourced from PubChem (CID 43647498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).