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

C11H22Cl2N4O — CID 119834041

IUPAC3-amino-N,2,2-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide;dihydrochloride
SMILESCN(Cc1cnn(C)c1)C(=O)C(C)(C)CN.Cl.Cl
InChIInChI=1S/C11H20N4O.2ClH/c1-11(2,8-12)10(16)14(3)6-9-5-13-15(4)7-9;;/h5,7H,6,8,12H2,1-4H3;2*1H
InChIKeyASRKERGPMXGUCD-UHFFFAOYSA-N
MW297.23 g/mol
LogP1.21
Rot. Bonds4

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

3-amino-N,2,2-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide;dihydrochloride (PubChem CID 119834041) has the molecular formula C11H22Cl2N4O and a molecular weight of 297.23 g/mol. Its IUPAC name is 3-amino-N,2,2-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N,2,2-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide;dihydrochloride
PubChem CID119834041
Molecular FormulaC11H22Cl2N4O
Molecular Weight297.23 g/mol
Exact Mass296.12
IUPAC Name3-amino-N,2,2-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide;dihydrochloride
SMILESCN(Cc1cnn(C)c1)C(=O)C(C)(C)CN.Cl.Cl
InChIInChI=1S/C11H20N4O.2ClH/c1-11(2,8-12)10(16)14(3)6-9-5-13-15(4)7-9;;/h5,7H,6,8,12H2,1-4H3;2*1H
InChIKeyASRKERGPMXGUCD-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

Analyze 3-amino-N,2,2-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 61265030
2,2-dimethyl-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-oxopropanoic acid
CID 82820708
1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 60703151
2-carbamothioyl-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide
CID 114292030
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
2-(N'-hydroxycarbamimidoyl)-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide
CID 114292736
3-amino-2-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 106111942
2-cyano-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 61442217
2-methyl-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-4-oxo-2-propan-2-ylbutanoic acid
CID 60952592
2-[methyl-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]acetic acid
CID 61440246
2-amino-N-ethyl-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 119863711

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,2,2-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide;dihydrochloride?
The IUPAC name of 3-amino-N,2,2-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide;dihydrochloride (CID 119834041) is 3-amino-N,2,2-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N,2,2-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide;dihydrochloride?
The canonical SMILES for 3-amino-N,2,2-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide;dihydrochloride is CN(Cc1cnn(C)c1)C(=O)C(C)(C)CN.Cl.Cl.
What is the InChIKey of 3-amino-N,2,2-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide;dihydrochloride?
The InChIKey is ASRKERGPMXGUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O.2ClH/c1-11(2,8-12)10(16)14(3)6-9-5-13-15(4)7-9;;/h5,7H,6,8,12H2,1-4H3;2*1H.
What are the key properties of 3-amino-N,2,2-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide;dihydrochloride?
3-amino-N,2,2-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide;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 3-amino-N,2,2-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide;dihydrochloride is sourced from PubChem (CID 119834041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).