3-methyl-1-(oxan-4-yl)pyrazol-4-amine;dihydrochloride

C9H17Cl2N3O — CID 126797068

IUPAC3-methyl-1-(oxan-4-yl)pyrazol-4-amine;dihydrochloride
SMILESCc1nn(C2CCOCC2)cc1N.Cl.Cl
InChIInChI=1S/C9H15N3O.2ClH/c1-7-9(10)6-12(11-7)8-2-4-13-5-3-8;;/h6,8H,2-5,10H2,1H3;2*1H
InChIKeyOFYOOETUHCUZJV-UHFFFAOYSA-N
MW254.16 g/mol
LogP1.97
Rot. Bonds1

About 3-methyl-1-(oxan-4-yl)pyrazol-4-amine;dihydrochloride

3-methyl-1-(oxan-4-yl)pyrazol-4-amine;dihydrochloride (PubChem CID 126797068) has the molecular formula C9H17Cl2N3O and a molecular weight of 254.16 g/mol. Its IUPAC name is 3-methyl-1-(oxan-4-yl)pyrazol-4-amine;dihydrochloride.

Molecular Properties

Compound Name3-methyl-1-(oxan-4-yl)pyrazol-4-amine;dihydrochloride
PubChem CID126797068
Molecular FormulaC9H17Cl2N3O
Molecular Weight254.16 g/mol
Exact Mass253.07
IUPAC Name3-methyl-1-(oxan-4-yl)pyrazol-4-amine;dihydrochloride
SMILESCc1nn(C2CCOCC2)cc1N.Cl.Cl
InChIInChI=1S/C9H15N3O.2ClH/c1-7-9(10)6-12(11-7)8-2-4-13-5-3-8;;/h6,8H,2-5,10H2,1H3;2*1H
InChIKeyOFYOOETUHCUZJV-UHFFFAOYSA-N
XLogP1.97
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.16
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-1-(oxan-4-yl)-1H-pyrazol-4-amine
CID 69281503
3-methyl-1-(oxan-4-yl)-1H-pyrazole
CID 64453825
3-methyl-1-(propan-2-yl)-1H-pyrazol-4-amine hydrochloride
CID 68673989
1-(2-methoxyethyl)-3-methyl-1H-pyrazol-4-amine
CID 69281507
5-methyl-1-(oxolan-3-yl)-1H-pyrazol-4-amine
CID 69281515
3-methyl-1-(1-methylpiperidin-4-yl)-1H-pyrazol-4-amine
CID 69281646
1-(oxan-4-yl)-1H-pyrazol-4-amine hydrochloride
CID 90281334
3-methyl-1-(propan-2-yl)-1H-pyrazol-4-amine dihydrochloride
CID 137919874
5-methyl-1-(1-methylpiperidin-4-yl)-1H-pyrazol-4-amine dihydrochloride
CID 138991278
1-(Oxan-4-yl)-5-(trifluoromethyl)pyrazol-4-amine
CID 134970188
1-(Tetrahydro-2H-pyran-4-YL)-1H-pyrazol-4-amine
CID 51063703
3-Methyl-1-(oxan-4-yl)-1H-pyrazol-4-amine
CID 69281508

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(oxan-4-yl)pyrazol-4-amine;dihydrochloride?
The IUPAC name of 3-methyl-1-(oxan-4-yl)pyrazol-4-amine;dihydrochloride (CID 126797068) is 3-methyl-1-(oxan-4-yl)pyrazol-4-amine;dihydrochloride.
What is the SMILES notation for 3-methyl-1-(oxan-4-yl)pyrazol-4-amine;dihydrochloride?
The canonical SMILES for 3-methyl-1-(oxan-4-yl)pyrazol-4-amine;dihydrochloride is Cc1nn(C2CCOCC2)cc1N.Cl.Cl.
What is the InChIKey of 3-methyl-1-(oxan-4-yl)pyrazol-4-amine;dihydrochloride?
The InChIKey is OFYOOETUHCUZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O.2ClH/c1-7-9(10)6-12(11-7)8-2-4-13-5-3-8;;/h6,8H,2-5,10H2,1H3;2*1H.
What are the key properties of 3-methyl-1-(oxan-4-yl)pyrazol-4-amine;dihydrochloride?
3-methyl-1-(oxan-4-yl)pyrazol-4-amine;dihydrochloride has a molecular weight of 254.16 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(oxan-4-yl)pyrazol-4-amine;dihydrochloride is sourced from PubChem (CID 126797068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).