5-methyl-1-(oxan-4-yl)pyrazol-4-amine;hydrochloride

C9H16ClN3O — CID 172907955

IUPAC5-methyl-1-(oxan-4-yl)pyrazol-4-amine;hydrochloride
SMILESCc1c(N)cnn1C1CCOCC1.Cl
InChIInChI=1S/C9H15N3O.ClH/c1-7-9(10)6-11-12(7)8-2-4-13-5-3-8;/h6,8H,2-5,10H2,1H3;1H
InChIKeyKYMGDDIARTWFFA-UHFFFAOYSA-N
MW217.70 g/mol
LogP1.55
Rot. Bonds1

About 5-methyl-1-(oxan-4-yl)pyrazol-4-amine;hydrochloride

5-methyl-1-(oxan-4-yl)pyrazol-4-amine;hydrochloride (PubChem CID 172907955) has the molecular formula C9H16ClN3O and a molecular weight of 217.70 g/mol. Its IUPAC name is 5-methyl-1-(oxan-4-yl)pyrazol-4-amine;hydrochloride.

Molecular Properties

Compound Name5-methyl-1-(oxan-4-yl)pyrazol-4-amine;hydrochloride
PubChem CID172907955
Molecular FormulaC9H16ClN3O
Molecular Weight217.70 g/mol
Exact Mass217.10
IUPAC Name5-methyl-1-(oxan-4-yl)pyrazol-4-amine;hydrochloride
SMILESCc1c(N)cnn1C1CCOCC1.Cl
InChIInChI=1S/C9H15N3O.ClH/c1-7-9(10)6-11-12(7)8-2-4-13-5-3-8;/h6,8H,2-5,10H2,1H3;1H
InChIKeyKYMGDDIARTWFFA-UHFFFAOYSA-N
XLogP1.55
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.70
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(oxan-4-yl)pyrazol-4-amine;hydrochloride?
The IUPAC name of 5-methyl-1-(oxan-4-yl)pyrazol-4-amine;hydrochloride (CID 172907955) is 5-methyl-1-(oxan-4-yl)pyrazol-4-amine;hydrochloride.
What is the SMILES notation for 5-methyl-1-(oxan-4-yl)pyrazol-4-amine;hydrochloride?
The canonical SMILES for 5-methyl-1-(oxan-4-yl)pyrazol-4-amine;hydrochloride is Cc1c(N)cnn1C1CCOCC1.Cl.
What is the InChIKey of 5-methyl-1-(oxan-4-yl)pyrazol-4-amine;hydrochloride?
The InChIKey is KYMGDDIARTWFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O.ClH/c1-7-9(10)6-11-12(7)8-2-4-13-5-3-8;/h6,8H,2-5,10H2,1H3;1H.
What are the key properties of 5-methyl-1-(oxan-4-yl)pyrazol-4-amine;hydrochloride?
5-methyl-1-(oxan-4-yl)pyrazol-4-amine;hydrochloride has a molecular weight of 217.70 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(oxan-4-yl)pyrazol-4-amine;hydrochloride is sourced from PubChem (CID 172907955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).