3-butan-2-yloxy-1-methylpyrazol-4-amine

C8H15N3O — CID 103079130

IUPAC3-butan-2-yloxy-1-methylpyrazol-4-amine
SMILESCCC(C)Oc1nn(C)cc1N
InChIInChI=1S/C8H15N3O/c1-4-6(2)12-8-7(9)5-11(3)10-8/h5-6H,4,9H2,1-3H3
InChIKeyYHECTWGYRITKKV-UHFFFAOYSA-N
MW169.23 g/mol
LogP1.18
Rot. Bonds3

About 3-butan-2-yloxy-1-methylpyrazol-4-amine

3-butan-2-yloxy-1-methylpyrazol-4-amine (PubChem CID 103079130) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 3-butan-2-yloxy-1-methylpyrazol-4-amine.

Molecular Properties

Compound Name3-butan-2-yloxy-1-methylpyrazol-4-amine
PubChem CID103079130
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name3-butan-2-yloxy-1-methylpyrazol-4-amine
SMILESCCC(C)Oc1nn(C)cc1N
InChIInChI=1S/C8H15N3O/c1-4-6(2)12-8-7(9)5-11(3)10-8/h5-6H,4,9H2,1-3H3
InChIKeyYHECTWGYRITKKV-UHFFFAOYSA-N
XLogP1.18
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-3-propoxypyrazol-4-amine;hydrochloride
CID 102565575
1-methyl-3-(2-piperidin-1-ylethoxy)pyrazol-4-amine
CID 103079138
3-(cyclopropylmethoxy)-1-methylpyrazol-4-amine
CID 103079090
3-(2,5-dibromo-4-methoxyphenoxy)-1-methylpyrazol-4-amine
CID 103079192
3-(3,5-dimethylphenoxy)-1-methylpyrazol-4-amine
CID 90480970
3-[(4-bromophenyl)methoxy]-1-methylpyrazol-4-amine
CID 103079210
4-amino-1-methyl-N-pentan-3-ylpyrazole-3-carboxamide
CID 65355253
3-(2,3,3a,7a-tetrahydro-1H-inden-2-yloxy)-1-methylpyrazol-4-amine
CID 90480997
3-chloro-1-methylpyrazol-4-amine;hydrochloride
CID 154814564
6-butan-2-yloxy-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine
CID 66941020
1-methyl-3-(oxan-4-ylmethoxy)pyrazol-4-amine
CID 103079156
4-amino-1-methyl-N-(2-methylpropyl)-N-pentan-3-ylpyrazole-3-carboxamide
CID 79483753

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yloxy-1-methylpyrazol-4-amine?
The IUPAC name of 3-butan-2-yloxy-1-methylpyrazol-4-amine (CID 103079130) is 3-butan-2-yloxy-1-methylpyrazol-4-amine.
What is the SMILES notation for 3-butan-2-yloxy-1-methylpyrazol-4-amine?
The canonical SMILES for 3-butan-2-yloxy-1-methylpyrazol-4-amine is CCC(C)Oc1nn(C)cc1N.
What is the InChIKey of 3-butan-2-yloxy-1-methylpyrazol-4-amine?
The InChIKey is YHECTWGYRITKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-4-6(2)12-8-7(9)5-11(3)10-8/h5-6H,4,9H2,1-3H3.
What are the key properties of 3-butan-2-yloxy-1-methylpyrazol-4-amine?
3-butan-2-yloxy-1-methylpyrazol-4-amine has a molecular weight of 169.23 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yloxy-1-methylpyrazol-4-amine is sourced from PubChem (CID 103079130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).