3-amino-N-ethyl-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide

C12H22N4O — CID 120503339

IUPAC3-amino-N-ethyl-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide
SMILESCCN(Cc1cnn(C)c1)C(=O)C(C)C(C)N
InChIInChI=1S/C12H22N4O/c1-5-16(12(17)9(2)10(3)13)8-11-6-14-15(4)7-11/h6-7,9-10H,5,8,13H2,1-4H3
InChIKeyZDLYHNYAOYSNIH-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.75
Rot. Bonds5

About 3-amino-N-ethyl-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide

3-amino-N-ethyl-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide (PubChem CID 120503339) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-amino-N-ethyl-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide.

Molecular Properties

Compound Name3-amino-N-ethyl-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide
PubChem CID120503339
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name3-amino-N-ethyl-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide
SMILESCCN(Cc1cnn(C)c1)C(=O)C(C)C(C)N
InChIInChI=1S/C12H22N4O/c1-5-16(12(17)9(2)10(3)13)8-11-6-14-15(4)7-11/h6-7,9-10H,5,8,13H2,1-4H3
InChIKeyZDLYHNYAOYSNIH-UHFFFAOYSA-N
XLogP0.75
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 ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenylpropanamide
CID 119863717
N-ethyl-2-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]-2-phenylacetamide
CID 111537345
2-amino-N-ethyl-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 119863711
4-amino-3-methyl-1-(1-methylpyrazol-4-yl)pentan-2-one
CID 116612324
2-amino-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide;dihydrochloride
CID 119834029
(2R)-2-amino-N,3,3-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide
CID 103929109
3-amino-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 119863755
(2S)-2-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]hexanamide
CID 93368050
1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 60703151
(2R)-2-imidazol-1-yl-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 126451829
1-N-methyl-1-N-[(1-methylpyrazol-4-yl)methyl]propane-1,2-diamine
CID 61438748
2-[2-methylpropyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
CID 132968617

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide?
The IUPAC name of 3-amino-N-ethyl-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide (CID 120503339) is 3-amino-N-ethyl-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide.
What is the SMILES notation for 3-amino-N-ethyl-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide?
The canonical SMILES for 3-amino-N-ethyl-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide is CCN(Cc1cnn(C)c1)C(=O)C(C)C(C)N.
What is the InChIKey of 3-amino-N-ethyl-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide?
The InChIKey is ZDLYHNYAOYSNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-5-16(12(17)9(2)10(3)13)8-11-6-14-15(4)7-11/h6-7,9-10H,5,8,13H2,1-4H3.
What are the key properties of 3-amino-N-ethyl-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide?
3-amino-N-ethyl-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide has a molecular weight of 238.33 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide is sourced from PubChem (CID 120503339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).