2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide

C13H24N4O2 — CID 106347767

IUPAC2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide
SMILESCc1nn(CC(=O)NC(CCO)C(C)C)c(C)c1N
InChIInChI=1S/C13H24N4O2/c1-8(2)11(5-6-18)15-12(19)7-17-10(4)13(14)9(3)16-17/h8,11,18H,5-7,14H2,1-4H3,(H,15,19)
InChIKeyBBYNVIUSQSXMQJ-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.61
Rot. Bonds6

About 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide

2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide (PubChem CID 106347767) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide
PubChem CID106347767
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide
SMILESCc1nn(CC(=O)NC(CCO)C(C)C)c(C)c1N
InChIInChI=1S/C13H24N4O2/c1-8(2)11(5-6-18)15-12(19)7-17-10(4)13(14)9(3)16-17/h8,11,18H,5-7,14H2,1-4H3,(H,15,19)
InChIKeyBBYNVIUSQSXMQJ-UHFFFAOYSA-N
XLogP0.61
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(1-methylsulfanylpropan-2-yl)acetamide
CID 113472630
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2-hydroxypropyl)acetamide
CID 43498545
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 106281020
methyl 3-[[2-(4-amino-3,5-dimethylpyrazol-1-yl)acetyl]amino]-2-hydroxypropanoate
CID 107211589
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[1-(2-chlorophenyl)ethyl]acetamide
CID 61117510
methyl 2-[[2-(4-amino-3,5-dimethylpyrazol-1-yl)acetyl]amino]acetate
CID 43445168
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide
CID 55081752
2-hydroxyethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
CID 61322565
[2-(methylamino)-2-oxoethyl] 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
CID 61321425
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 43445437
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2-ethoxy-2-methylpropyl)acetamide
CID 114940285
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide
CID 113313077

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide?
The IUPAC name of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide (CID 106347767) is 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide.
What is the SMILES notation for 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide?
The canonical SMILES for 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide is Cc1nn(CC(=O)NC(CCO)C(C)C)c(C)c1N.
What is the InChIKey of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide?
The InChIKey is BBYNVIUSQSXMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-8(2)11(5-6-18)15-12(19)7-17-10(4)13(14)9(3)16-17/h8,11,18H,5-7,14H2,1-4H3,(H,15,19).
What are the key properties of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide?
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide has a molecular weight of 268.36 g/mol, XLogP of 0.61, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide is sourced from PubChem (CID 106347767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).