1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-methoxybutan-2-amine

C10H18ClN3O — CID 79616317

IUPAC1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-methoxybutan-2-amine
SMILESCOC(C)C(N)Cc1c(Cl)c(C)nn1C
InChIInChI=1S/C10H18ClN3O/c1-6-10(11)9(14(3)13-6)5-8(12)7(2)15-4/h7-8H,5,12H2,1-4H3
InChIKeyVSXHUZIDYDXCQE-UHFFFAOYSA-N
MW231.73 g/mol
LogP1.29
Rot. Bonds4

About 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-methoxybutan-2-amine

1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-methoxybutan-2-amine (PubChem CID 79616317) has the molecular formula C10H18ClN3O and a molecular weight of 231.73 g/mol. Its IUPAC name is 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-methoxybutan-2-amine.

Molecular Properties

Compound Name1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-methoxybutan-2-amine
PubChem CID79616317
Molecular FormulaC10H18ClN3O
Molecular Weight231.73 g/mol
Exact Mass231.11
IUPAC Name1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-methoxybutan-2-amine
SMILESCOC(C)C(N)Cc1c(Cl)c(C)nn1C
InChIInChI=1S/C10H18ClN3O/c1-6-10(11)9(14(3)13-6)5-8(12)7(2)15-4/h7-8H,5,12H2,1-4H3
InChIKeyVSXHUZIDYDXCQE-UHFFFAOYSA-N
XLogP1.29
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.73
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-methoxybutan-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-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-methoxy-3-methylbutan-2-amine
CID 79196955
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-(2-methoxyethoxy)propan-2-amine
CID 114032875
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-4-methoxy-4-methylpentan-2-amine
CID 103027416
1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-methoxybutan-2-amine
CID 79616432
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(1-methoxycyclopentyl)ethanamine
CID 113432771
1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-methoxybutan-2-amine
CID 79616081
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-N,3-N,3-triethylpentane-2,3-diamine
CID 79059856
1-(2,5-dimethylpyrazol-3-yl)-3-methoxybutan-2-amine
CID 79617156
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-cyclooctylethanamine
CID 80603689
1-(4-chloro-1,3-dimethylpyrazol-5-yl)octan-2-amine
CID 104996704
O-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]hydroxylamine
CID 79427033
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
CID 105158761

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-methoxybutan-2-amine?
The IUPAC name of 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-methoxybutan-2-amine (CID 79616317) is 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-methoxybutan-2-amine.
What is the SMILES notation for 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-methoxybutan-2-amine?
The canonical SMILES for 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-methoxybutan-2-amine is COC(C)C(N)Cc1c(Cl)c(C)nn1C.
What is the InChIKey of 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-methoxybutan-2-amine?
The InChIKey is VSXHUZIDYDXCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN3O/c1-6-10(11)9(14(3)13-6)5-8(12)7(2)15-4/h7-8H,5,12H2,1-4H3.
What are the key properties of 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-methoxybutan-2-amine?
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-methoxybutan-2-amine has a molecular weight of 231.73 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-methoxybutan-2-amine is sourced from PubChem (CID 79616317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).