2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide

C13H24N4O2 — CID 55081752

IUPAC2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide
SMILESCCC(CC)(CO)NC(=O)Cn1nc(C)c(N)c1C
InChIInChI=1S/C13H24N4O2/c1-5-13(6-2,8-18)15-11(19)7-17-10(4)12(14)9(3)16-17/h18H,5-8,14H2,1-4H3,(H,15,19)
InChIKeyHNNFNGDSMNBIRZ-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.75
Rot. Bonds6

About 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide

2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide (PubChem CID 55081752) 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-[3-(hydroxymethyl)pentan-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide
PubChem CID55081752
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide
SMILESCCC(CC)(CO)NC(=O)Cn1nc(C)c(N)c1C
InChIInChI=1S/C13H24N4O2/c1-5-13(6-2,8-18)15-11(19)7-17-10(4)12(14)9(3)16-17/h18H,5-8,14H2,1-4H3,(H,15,19)
InChIKeyHNNFNGDSMNBIRZ-UHFFFAOYSA-N
XLogP0.75
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 ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[2-(4-amino-3,5-dimethylpyrazol-1-yl)acetyl]amino]acetate
CID 43445168
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-piperidin-1-ylacetamide
CID 83012956
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2-hydroxypropyl)acetamide
CID 43498545
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(4-ethylcyclohexyl)acetamide
CID 61466568
[2-(methylamino)-2-oxoethyl] 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
CID 61321425
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide
CID 113313077
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide
CID 106347767
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[(2-chlorophenyl)methyl]acetamide
CID 43445326
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-(5,6-dimethyl-1,2,4-triazin-3-yl)acetamide
CID 114386539
methyl 3-[[2-(4-amino-3,5-dimethylpyrazol-1-yl)acetyl]amino]-2-hydroxypropanoate
CID 107211589

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide?
The IUPAC name of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide (CID 55081752) is 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide.
What is the SMILES notation for 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide?
The canonical SMILES for 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide is CCC(CC)(CO)NC(=O)Cn1nc(C)c(N)c1C.
What is the InChIKey of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide?
The InChIKey is HNNFNGDSMNBIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-5-13(6-2,8-18)15-11(19)7-17-10(4)12(14)9(3)16-17/h18H,5-8,14H2,1-4H3,(H,15,19).
What are the key properties of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide?
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide has a molecular weight of 268.36 g/mol, XLogP of 0.75, 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-[3-(hydroxymethyl)pentan-3-yl]acetamide is sourced from PubChem (CID 55081752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).