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

C12H20N4O2 — CID 113313077

IUPAC2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide
SMILESCc1nn(CC(=O)NCC2(CO)CC2)c(C)c1N
InChIInChI=1S/C12H20N4O2/c1-8-11(13)9(2)16(15-8)5-10(18)14-6-12(7-17)3-4-12/h17H,3-7,13H2,1-2H3,(H,14,18)
InChIKeyHLXNXPAYJLOOCR-UHFFFAOYSA-N
MW252.32 g/mol
LogP-0.03
Rot. Bonds5

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

2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide (PubChem CID 113313077) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide
PubChem CID113313077
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide
SMILESCc1nn(CC(=O)NCC2(CO)CC2)c(C)c1N
InChIInChI=1S/C12H20N4O2/c1-8-11(13)9(2)16(15-8)5-10(18)14-6-12(7-17)3-4-12/h17H,3-7,13H2,1-2H3,(H,14,18)
InChIKeyHLXNXPAYJLOOCR-UHFFFAOYSA-N
XLogP-0.03
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-dimethylpyrazol-1-yl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide
CID 115362411
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2-hydroxypropyl)acetamide
CID 43498545
methyl 2-[[2-(4-amino-3,5-dimethylpyrazol-1-yl)acetyl]amino]acetate
CID 43445168
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-piperidin-1-ylacetamide
CID 83012956
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[3-(hydroxymethyl)pentan-3-yl]acetamide
CID 55081752
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-(5,6-dimethyl-1,2,4-triazin-3-yl)acetamide
CID 114386539
[2-(methylamino)-2-oxoethyl] 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
CID 61321425
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(4-hydroxycyclohexyl)acetamide
CID 43445175
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2-ethoxy-2-methylpropyl)acetamide
CID 114940285
2-[4-[[1-(hydroxymethyl)cyclopropyl]methylsulfamoyl]-3,5-dimethylpyrazol-1-yl]acetic acid
CID 115454214
2-(5-amino-3-methylpyrazol-1-yl)-N-[[1-(phenoxymethyl)cyclopropyl]methyl]acetamide
CID 131942164

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide?
The IUPAC name of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide (CID 113313077) is 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide.
What is the SMILES notation for 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide?
The canonical SMILES for 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide is Cc1nn(CC(=O)NCC2(CO)CC2)c(C)c1N.
What is the InChIKey of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide?
The InChIKey is HLXNXPAYJLOOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-8-11(13)9(2)16(15-8)5-10(18)14-6-12(7-17)3-4-12/h17H,3-7,13H2,1-2H3,(H,14,18).
What are the key properties of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide?
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide has a molecular weight of 252.32 g/mol, XLogP of -0.03, 5 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-(hydroxymethyl)cyclopropyl]methyl]acetamide is sourced from PubChem (CID 113313077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).