4-amino-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-3-methylbutanamide

C11H20N4O2 — CID 114255881

IUPAC4-amino-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-3-methylbutanamide
SMILESCOc1cc(CNC(=O)CC(C)CN)nn1C
InChIInChI=1S/C11H20N4O2/c1-8(6-12)4-10(16)13-7-9-5-11(17-3)15(2)14-9/h5,8H,4,6-7,12H2,1-3H3,(H,13,16)
InChIKeyPGYWGXXLGQONOF-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.03
Rot. Bonds6

About 4-amino-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-3-methylbutanamide

4-amino-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-3-methylbutanamide (PubChem CID 114255881) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 4-amino-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-3-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-3-methylbutanamide
PubChem CID114255881
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name4-amino-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-3-methylbutanamide
SMILESCOc1cc(CNC(=O)CC(C)CN)nn1C
InChIInChI=1S/C11H20N4O2/c1-8(6-12)4-10(16)13-7-9-5-11(17-3)15(2)14-9/h5,8H,4,6-7,12H2,1-3H3,(H,13,16)
InChIKeyPGYWGXXLGQONOF-UHFFFAOYSA-N
XLogP0.03
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-amino-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-3-methylbutanamide 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

(2S)-2-amino-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-3,3-dimethylbutanamide
CID 114255886
2-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]-N-propan-2-ylacetamide
CID 114255764
3-[(5-methoxy-1-methylpyrazol-3-yl)methylcarbamoylamino]-2-methylpropanoic acid
CID 114256151
2,2,2-trifluoro-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]acetamide
CID 130497701
N-carbamoyl-2-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]acetamide
CID 114255775
4-amino-3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]butanamide
CID 81084192
2-[(5-methoxy-1-methylpyrazol-3-yl)methylcarbamoyl-methylamino]acetic acid
CID 114256149
N-(2-methoxyethyl)-2-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]acetamide
CID 114255770
4-fluoro-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]benzamide
CID 114255745
4-amino-N-[(2-methoxy-4-pyridinyl)methyl]-3-methylbutanamide
CID 81080753
N-(3-amino-2-methylpropyl)-N-ethyl-5-methoxy-1-methylpyrazole-3-carboxamide
CID 114254970
N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-3-methylpyrrolidine-2-carboxamide
CID 114255877

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-3-methylbutanamide?
The IUPAC name of 4-amino-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-3-methylbutanamide (CID 114255881) is 4-amino-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-3-methylbutanamide.
What is the SMILES notation for 4-amino-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-3-methylbutanamide?
The canonical SMILES for 4-amino-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-3-methylbutanamide is COc1cc(CNC(=O)CC(C)CN)nn1C.
What is the InChIKey of 4-amino-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-3-methylbutanamide?
The InChIKey is PGYWGXXLGQONOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-8(6-12)4-10(16)13-7-9-5-11(17-3)15(2)14-9/h5,8H,4,6-7,12H2,1-3H3,(H,13,16).
What are the key properties of 4-amino-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-3-methylbutanamide?
4-amino-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-3-methylbutanamide has a molecular weight of 240.31 g/mol, XLogP of 0.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-3-methylbutanamide is sourced from PubChem (CID 114255881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).