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

C10H19N3O — CID 79617156

IUPAC1-(2,5-dimethylpyrazol-3-yl)-3-methoxybutan-2-amine
SMILESCOC(C)C(N)Cc1cc(C)nn1C
InChIInChI=1S/C10H19N3O/c1-7-5-9(13(3)12-7)6-10(11)8(2)14-4/h5,8,10H,6,11H2,1-4H3
InChIKeyQXVXEHCVXSOEEJ-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.63
Rot. Bonds4

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

1-(2,5-dimethylpyrazol-3-yl)-3-methoxybutan-2-amine (PubChem CID 79617156) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrazol-3-yl)-3-methoxybutan-2-amine.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazol-3-yl)-3-methoxybutan-2-amine
PubChem CID79617156
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)-3-methoxybutan-2-amine
SMILESCOC(C)C(N)Cc1cc(C)nn1C
InChIInChI=1S/C10H19N3O/c1-7-5-9(13(3)12-7)6-10(11)8(2)14-4/h5,8,10H,6,11H2,1-4H3
InChIKeyQXVXEHCVXSOEEJ-UHFFFAOYSA-N
XLogP0.63
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethyl-5-methylpyrazol-3-yl)-3-methoxybutan-2-amine
CID 79616916
1-(2,5-dimethylpyrazol-3-yl)-3-propan-2-yloxypropan-2-amine
CID 105158554
[1-(2,5-dimethylpyrazol-3-yl)-3-methoxy-4-methylpentan-2-yl]hydrazine
CID 105272137
(2S)-2-amino-3-(2,5-dimethylpyrazol-3-yl)propanamide
CID 141403090
[1-(2,5-dimethylpyrazol-3-yl)-3-ethoxybutan-2-yl]hydrazine
CID 105222898
1-(2,6-dimethoxyphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanamine
CID 104996048
[1-(2,5-dimethylpyrazol-3-yl)-3-propan-2-yloxypropan-2-yl]hydrazine
CID 105315707
2-(2,5-dimethylpyrazol-3-yl)-1-(4-methoxythiophen-2-yl)ethanamine
CID 104996409
1-(2,5-dimethylpyrazol-3-yl)-3,4-dimethylpentan-2-ol
CID 115811450
1-(2,5-dimethylpyrazol-3-yl)-3-N,3-N-diethyl-3-methylpentane-2,3-diamine
CID 79068743
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-methoxybutan-2-amine
CID 79616317
1-(2,5-dimethylpyrazol-3-yl)-3-methoxy-3-methylbutan-2-ol
CID 79198449

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-methoxybutan-2-amine?
The IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-methoxybutan-2-amine (CID 79617156) is 1-(2,5-dimethylpyrazol-3-yl)-3-methoxybutan-2-amine.
What is the SMILES notation for 1-(2,5-dimethylpyrazol-3-yl)-3-methoxybutan-2-amine?
The canonical SMILES for 1-(2,5-dimethylpyrazol-3-yl)-3-methoxybutan-2-amine is COC(C)C(N)Cc1cc(C)nn1C.
What is the InChIKey of 1-(2,5-dimethylpyrazol-3-yl)-3-methoxybutan-2-amine?
The InChIKey is QXVXEHCVXSOEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-7-5-9(13(3)12-7)6-10(11)8(2)14-4/h5,8,10H,6,11H2,1-4H3.
What are the key properties of 1-(2,5-dimethylpyrazol-3-yl)-3-methoxybutan-2-amine?
1-(2,5-dimethylpyrazol-3-yl)-3-methoxybutan-2-amine has a molecular weight of 197.28 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpyrazol-3-yl)-3-methoxybutan-2-amine is sourced from PubChem (CID 79617156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).