2-(4-aminopyrazol-1-yl)-N-butan-2-yl-N-(2-methoxyethyl)acetamide

C12H22N4O2 — CID 55001514

IUPAC2-(4-aminopyrazol-1-yl)-N-butan-2-yl-N-(2-methoxyethyl)acetamide
SMILESCCC(C)N(CCOC)C(=O)Cn1cc(N)cn1
InChIInChI=1S/C12H22N4O2/c1-4-10(2)16(5-6-18-3)12(17)9-15-8-11(13)7-14-15/h7-8,10H,4-6,9,13H2,1-3H3
InChIKeyZHDCBYSQSCTTHI-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.74
Rot. Bonds7

About 2-(4-aminopyrazol-1-yl)-N-butan-2-yl-N-(2-methoxyethyl)acetamide

2-(4-aminopyrazol-1-yl)-N-butan-2-yl-N-(2-methoxyethyl)acetamide (PubChem CID 55001514) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-(4-aminopyrazol-1-yl)-N-butan-2-yl-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-(4-aminopyrazol-1-yl)-N-butan-2-yl-N-(2-methoxyethyl)acetamide
PubChem CID55001514
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name2-(4-aminopyrazol-1-yl)-N-butan-2-yl-N-(2-methoxyethyl)acetamide
SMILESCCC(C)N(CCOC)C(=O)Cn1cc(N)cn1
InChIInChI=1S/C12H22N4O2/c1-4-10(2)16(5-6-18-3)12(17)9-15-8-11(13)7-14-15/h7-8,10H,4-6,9,13H2,1-3H3
InChIKeyZHDCBYSQSCTTHI-UHFFFAOYSA-N
XLogP0.74
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(aminomethyl)triazol-1-yl]-N-butan-2-yl-N-(2-methoxyethyl)acetamide
CID 115459690
N-(2-amino-2-oxoethyl)-2-(4-aminopyrazol-1-yl)-N-propan-2-ylacetamide
CID 43572615
2-(4-aminopyrazol-1-yl)-N-methyl-N-(2-propan-2-yloxyethyl)acetamide
CID 81053268
2-(4-aminopyrazol-1-yl)-N,N-dipropylacetamide
CID 43445164
2-(4-aminopyrazol-1-yl)-N-[2-[2-methoxyethyl(methyl)amino]ethyl]acetamide
CID 62843765
2-(4-aminopyrazol-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)acetamide
CID 61140908
2-(4-aminopyrazol-1-yl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)acetamide
CID 61113367
2-(4-aminopyrazol-1-yl)-N-methyl-N-(2-methylpropyl)acetamide
CID 43445500
methyl 3-[[2-(4-aminopyrazol-1-yl)acetyl]-(2-methylpropyl)amino]propanoate
CID 61110278
2-(4-aminophenyl)-N-butan-2-yl-N-(2-methoxyethyl)acetamide
CID 55001222
2-(3-aminopyrazol-1-yl)-N-(2-methoxyethyl)-N-propan-2-ylacetamide
CID 82947950
1-[2-[ethyl(2-methoxyethyl)amino]ethyl]pyrazol-4-amine
CID 62138819

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopyrazol-1-yl)-N-butan-2-yl-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-(4-aminopyrazol-1-yl)-N-butan-2-yl-N-(2-methoxyethyl)acetamide (CID 55001514) is 2-(4-aminopyrazol-1-yl)-N-butan-2-yl-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-(4-aminopyrazol-1-yl)-N-butan-2-yl-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-(4-aminopyrazol-1-yl)-N-butan-2-yl-N-(2-methoxyethyl)acetamide is CCC(C)N(CCOC)C(=O)Cn1cc(N)cn1.
What is the InChIKey of 2-(4-aminopyrazol-1-yl)-N-butan-2-yl-N-(2-methoxyethyl)acetamide?
The InChIKey is ZHDCBYSQSCTTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-4-10(2)16(5-6-18-3)12(17)9-15-8-11(13)7-14-15/h7-8,10H,4-6,9,13H2,1-3H3.
What are the key properties of 2-(4-aminopyrazol-1-yl)-N-butan-2-yl-N-(2-methoxyethyl)acetamide?
2-(4-aminopyrazol-1-yl)-N-butan-2-yl-N-(2-methoxyethyl)acetamide has a molecular weight of 254.33 g/mol, XLogP of 0.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopyrazol-1-yl)-N-butan-2-yl-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 55001514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).