2-amino-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide;dihydrochloride

C11H22Cl2N4O — CID 119834029

IUPAC2-amino-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide;dihydrochloride
SMILESCC(C)C(N)C(=O)N(C)Cc1cnn(C)c1.Cl.Cl
InChIInChI=1S/C11H20N4O.2ClH/c1-8(2)10(12)11(16)14(3)6-9-5-13-15(4)7-9;;/h5,7-8,10H,6,12H2,1-4H3;2*1H
InChIKeyRQUAMMLMVQFJFG-UHFFFAOYSA-N
MW297.23 g/mol
LogP1.21
Rot. Bonds4

About 2-amino-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide;dihydrochloride

2-amino-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide;dihydrochloride (PubChem CID 119834029) has the molecular formula C11H22Cl2N4O and a molecular weight of 297.23 g/mol. Its IUPAC name is 2-amino-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide;dihydrochloride
PubChem CID119834029
Molecular FormulaC11H22Cl2N4O
Molecular Weight297.23 g/mol
Exact Mass296.12
IUPAC Name2-amino-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide;dihydrochloride
SMILESCC(C)C(N)C(=O)N(C)Cc1cnn(C)c1.Cl.Cl
InChIInChI=1S/C11H20N4O.2ClH/c1-8(2)10(12)11(16)14(3)6-9-5-13-15(4)7-9;;/h5,7-8,10H,6,12H2,1-4H3;2*1H
InChIKeyRQUAMMLMVQFJFG-UHFFFAOYSA-N
XLogP1.21
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.23
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N,3,3-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide
CID 103929109
3-amino-2-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 106111942
2-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119834031
1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 60703151
(2S)-2-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]hexanamide
CID 93368050
2-amino-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 61265030
3-amino-N,2,2-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide;dihydrochloride
CID 119834041
3-amino-N-ethyl-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide
CID 120503339
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-phenoxypropanamide
CID 86917229
4-amino-3-methyl-1-(1-methylpyrazol-4-yl)pentan-2-one
CID 116612324
2,2-dimethyl-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-oxopropanoic acid
CID 82820708
2-amino-N-[(4-ethylphenyl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)acetamide
CID 115289817

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide;dihydrochloride?
The IUPAC name of 2-amino-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide;dihydrochloride (CID 119834029) is 2-amino-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide;dihydrochloride.
What is the SMILES notation for 2-amino-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide;dihydrochloride?
The canonical SMILES for 2-amino-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide;dihydrochloride is CC(C)C(N)C(=O)N(C)Cc1cnn(C)c1.Cl.Cl.
What is the InChIKey of 2-amino-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide;dihydrochloride?
The InChIKey is RQUAMMLMVQFJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O.2ClH/c1-8(2)10(12)11(16)14(3)6-9-5-13-15(4)7-9;;/h5,7-8,10H,6,12H2,1-4H3;2*1H.
What are the key properties of 2-amino-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide;dihydrochloride?
2-amino-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide;dihydrochloride has a molecular weight of 297.23 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide;dihydrochloride is sourced from PubChem (CID 119834029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).