2-amino-2-(1-methylpyrazol-4-yl)-N-propan-2-yl-N-propylacetamide

C12H22N4O — CID 113279791

IUPAC2-amino-2-(1-methylpyrazol-4-yl)-N-propan-2-yl-N-propylacetamide
SMILESCCCN(C(=O)C(N)c1cnn(C)c1)C(C)C
InChIInChI=1S/C12H22N4O/c1-5-6-16(9(2)3)12(17)11(13)10-7-14-15(4)8-10/h7-9,11H,5-6,13H2,1-4H3
InChIKeyNXSKQXOGJITMNU-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.07
Rot. Bonds5

About 2-amino-2-(1-methylpyrazol-4-yl)-N-propan-2-yl-N-propylacetamide

2-amino-2-(1-methylpyrazol-4-yl)-N-propan-2-yl-N-propylacetamide (PubChem CID 113279791) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-amino-2-(1-methylpyrazol-4-yl)-N-propan-2-yl-N-propylacetamide.

Molecular Properties

Compound Name2-amino-2-(1-methylpyrazol-4-yl)-N-propan-2-yl-N-propylacetamide
PubChem CID113279791
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name2-amino-2-(1-methylpyrazol-4-yl)-N-propan-2-yl-N-propylacetamide
SMILESCCCN(C(=O)C(N)c1cnn(C)c1)C(C)C
InChIInChI=1S/C12H22N4O/c1-5-6-16(9(2)3)12(17)11(13)10-7-14-15(4)8-10/h7-9,11H,5-6,13H2,1-4H3
InChIKeyNXSKQXOGJITMNU-UHFFFAOYSA-N
XLogP1.07
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]-propan-2-ylamino]acetate
CID 115290159
ethyl (2S)-2-amino-2-(1-methylpyrazol-4-yl)acetate
CID 93311142
2-amino-N-cyclopropyl-N-ethyl-2-(1-methylpyrazol-4-yl)acetamide
CID 115289735
2-amino-N-methyl-2-(1-methylpyrazol-4-yl)-N-(2-methylsulfanylethyl)acetamide
CID 112658924
ethyl 2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]-(2-methylpropyl)amino]acetate
CID 115290153
2-amino-N-[(4-ethylphenyl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)acetamide
CID 115289817
2-amino-N-[2-(ethylamino)-2-oxoethyl]-N-methyl-2-(1-methylpyrazol-4-yl)acetamide
CID 115290215
2-amino-N-cyclopentyl-N-(2-methylpropyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115290971
2-amino-N-(2-methylpropyl)-2-(1-methylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 115290162
propan-2-yl 2-amino-2-(1-methylpyrazol-4-yl)acetate
CID 115288979
1-(1-methylpyrazol-4-yl)-N',N'-dipropylethane-1,2-diamine
CID 115291096
2-amino-N-ethyl-N-(2-methylphenyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115289599

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(1-methylpyrazol-4-yl)-N-propan-2-yl-N-propylacetamide?
The IUPAC name of 2-amino-2-(1-methylpyrazol-4-yl)-N-propan-2-yl-N-propylacetamide (CID 113279791) is 2-amino-2-(1-methylpyrazol-4-yl)-N-propan-2-yl-N-propylacetamide.
What is the SMILES notation for 2-amino-2-(1-methylpyrazol-4-yl)-N-propan-2-yl-N-propylacetamide?
The canonical SMILES for 2-amino-2-(1-methylpyrazol-4-yl)-N-propan-2-yl-N-propylacetamide is CCCN(C(=O)C(N)c1cnn(C)c1)C(C)C.
What is the InChIKey of 2-amino-2-(1-methylpyrazol-4-yl)-N-propan-2-yl-N-propylacetamide?
The InChIKey is NXSKQXOGJITMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-5-6-16(9(2)3)12(17)11(13)10-7-14-15(4)8-10/h7-9,11H,5-6,13H2,1-4H3.
What are the key properties of 2-amino-2-(1-methylpyrazol-4-yl)-N-propan-2-yl-N-propylacetamide?
2-amino-2-(1-methylpyrazol-4-yl)-N-propan-2-yl-N-propylacetamide has a molecular weight of 238.33 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(1-methylpyrazol-4-yl)-N-propan-2-yl-N-propylacetamide is sourced from PubChem (CID 113279791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).