1,1-dimethoxy-3-(1-methylpyrazol-4-yl)propan-2-amine

C9H17N3O2 — CID 79492316

IUPAC1,1-dimethoxy-3-(1-methylpyrazol-4-yl)propan-2-amine
SMILESCOC(OC)C(N)Cc1cnn(C)c1
InChIInChI=1S/C9H17N3O2/c1-12-6-7(5-11-12)4-8(10)9(13-2)14-3/h5-6,8-9H,4,10H2,1-3H3
InChIKeyPGKBXSQHWQRSTB-UHFFFAOYSA-N
MW199.25 g/mol
LogP-0.09
Rot. Bonds5

About 1,1-dimethoxy-3-(1-methylpyrazol-4-yl)propan-2-amine

1,1-dimethoxy-3-(1-methylpyrazol-4-yl)propan-2-amine (PubChem CID 79492316) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 1,1-dimethoxy-3-(1-methylpyrazol-4-yl)propan-2-amine.

Molecular Properties

Compound Name1,1-dimethoxy-3-(1-methylpyrazol-4-yl)propan-2-amine
PubChem CID79492316
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name1,1-dimethoxy-3-(1-methylpyrazol-4-yl)propan-2-amine
SMILESCOC(OC)C(N)Cc1cnn(C)c1
InChIInChI=1S/C9H17N3O2/c1-12-6-7(5-11-12)4-8(10)9(13-2)14-3/h5-6,8-9H,4,10H2,1-3H3
InChIKeyPGKBXSQHWQRSTB-UHFFFAOYSA-N
XLogP-0.09
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1,1-dimethoxy-3-(1-methylpyrazol-4-yl)propan-2-amine 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

1,1-difluoro-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 103516463
3-methoxy-1-(1-methylpyrazol-4-yl)hexan-2-amine
CID 116718521
2-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 62505178
1-methoxy-3-(1-methylpyrazol-4-yl)propan-2-ol
CID 62127498
1-(5-methylpyrazin-2-yl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 105114103
(2R)-2-amino-3-(1-methylpyrazol-4-yl)propanoic acid;methane;methyl (2R)-2-amino-3-(1-methylpyrazol-4-yl)propanoate
CID 161483987
ethyl 2-chloro-3-(1-methylpyrazol-4-yl)propanoate
CID 83197701
2-(1-methylpyrazol-4-yl)-1-pyrimidin-5-ylethanamine
CID 102923318
2-amino-3-(1-methylpyrazol-4-yl)propanoic acid;hydrochloride
CID 156589324
1-(6-methoxypyrimidin-4-yl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 102950597
2-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diol
CID 79450253
1-(1-methylpyrazol-4-yl)-4-propoxybutan-2-amine
CID 105113884

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethoxy-3-(1-methylpyrazol-4-yl)propan-2-amine?
The IUPAC name of 1,1-dimethoxy-3-(1-methylpyrazol-4-yl)propan-2-amine (CID 79492316) is 1,1-dimethoxy-3-(1-methylpyrazol-4-yl)propan-2-amine.
What is the SMILES notation for 1,1-dimethoxy-3-(1-methylpyrazol-4-yl)propan-2-amine?
The canonical SMILES for 1,1-dimethoxy-3-(1-methylpyrazol-4-yl)propan-2-amine is COC(OC)C(N)Cc1cnn(C)c1.
What is the InChIKey of 1,1-dimethoxy-3-(1-methylpyrazol-4-yl)propan-2-amine?
The InChIKey is PGKBXSQHWQRSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-12-6-7(5-11-12)4-8(10)9(13-2)14-3/h5-6,8-9H,4,10H2,1-3H3.
What are the key properties of 1,1-dimethoxy-3-(1-methylpyrazol-4-yl)propan-2-amine?
1,1-dimethoxy-3-(1-methylpyrazol-4-yl)propan-2-amine has a molecular weight of 199.25 g/mol, XLogP of -0.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxy-3-(1-methylpyrazol-4-yl)propan-2-amine is sourced from PubChem (CID 79492316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).