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

C10H18N4O2 — CID 63302394

IUPAC2-amino-4-methoxy-N-[(2-methylpyrazol-3-yl)methyl]butanamide
SMILESCOCCC(N)C(=O)NCc1ccnn1C
InChIInChI=1S/C10H18N4O2/c1-14-8(3-5-13-14)7-12-10(15)9(11)4-6-16-2/h3,5,9H,4,6-7,11H2,1-2H3,(H,12,15)
InChIKeyIIMVHLHICDFNAN-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.60
Rot. Bonds6

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

2-amino-4-methoxy-N-[(2-methylpyrazol-3-yl)methyl]butanamide (PubChem CID 63302394) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-amino-4-methoxy-N-[(2-methylpyrazol-3-yl)methyl]butanamide.

Molecular Properties

Compound Name2-amino-4-methoxy-N-[(2-methylpyrazol-3-yl)methyl]butanamide
PubChem CID63302394
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name2-amino-4-methoxy-N-[(2-methylpyrazol-3-yl)methyl]butanamide
SMILESCOCCC(N)C(=O)NCc1ccnn1C
InChIInChI=1S/C10H18N4O2/c1-14-8(3-5-13-14)7-12-10(15)9(11)4-6-16-2/h3,5,9H,4,6-7,11H2,1-2H3,(H,12,15)
InChIKeyIIMVHLHICDFNAN-UHFFFAOYSA-N
XLogP-0.60
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[(2-methylpyrazol-3-yl)methyl]-3-phenylpropanamide;hydrochloride
CID 119291636
(2S)-2-amino-3,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]butanamide
CID 63302481
1-methoxy-3-[(2-methylpyrazol-3-yl)methyl]urea
CID 131154196
(2S)-2-amino-3,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]butanamide;hydrochloride
CID 119727683
2-amino-N-[2-(2-methylpyrazol-3-yl)ethyl]hexanamide
CID 103006809
2-amino-4-methoxy-N-[(5-methylthiophen-2-yl)methyl]butanamide
CID 62475607
N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 19292671
2-amino-4-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]butanamide
CID 62473216
2-amino-N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 63302579
2-amino-N-(2-imidazol-1-ylethyl)-4-methoxybutanamide
CID 62476777
5-amino-N-[(2-methylpyrazol-3-yl)methyl]hexanamide
CID 82852042
3-amino-3-hydroxyimino-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]propanamide
CID 76989094

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methoxy-N-[(2-methylpyrazol-3-yl)methyl]butanamide?
The IUPAC name of 2-amino-4-methoxy-N-[(2-methylpyrazol-3-yl)methyl]butanamide (CID 63302394) is 2-amino-4-methoxy-N-[(2-methylpyrazol-3-yl)methyl]butanamide.
What is the SMILES notation for 2-amino-4-methoxy-N-[(2-methylpyrazol-3-yl)methyl]butanamide?
The canonical SMILES for 2-amino-4-methoxy-N-[(2-methylpyrazol-3-yl)methyl]butanamide is COCCC(N)C(=O)NCc1ccnn1C.
What is the InChIKey of 2-amino-4-methoxy-N-[(2-methylpyrazol-3-yl)methyl]butanamide?
The InChIKey is IIMVHLHICDFNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-14-8(3-5-13-14)7-12-10(15)9(11)4-6-16-2/h3,5,9H,4,6-7,11H2,1-2H3,(H,12,15).
What are the key properties of 2-amino-4-methoxy-N-[(2-methylpyrazol-3-yl)methyl]butanamide?
2-amino-4-methoxy-N-[(2-methylpyrazol-3-yl)methyl]butanamide has a molecular weight of 226.28 g/mol, XLogP of -0.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methoxy-N-[(2-methylpyrazol-3-yl)methyl]butanamide is sourced from PubChem (CID 63302394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).