5-methyl-N-(oxan-4-yl)-1H-pyrazol-3-amine;hydrochloride

C9H16ClN3O — CID 67008553

IUPAC5-methyl-N-(oxan-4-yl)-1H-pyrazol-3-amine;hydrochloride
SMILESCc1cc(NC2CCOCC2)n[nH]1.Cl
InChIInChI=1S/C9H15N3O.ClH/c1-7-6-9(12-11-7)10-8-2-4-13-5-3-8;/h6,8H,2-5H2,1H3,(H2,10,11,12);1H
InChIKeyPVYWUNBOEPATGU-UHFFFAOYSA-N
MW217.70 g/mol
LogP1.73
Rot. Bonds2

About 5-methyl-N-(oxan-4-yl)-1H-pyrazol-3-amine;hydrochloride

5-methyl-N-(oxan-4-yl)-1H-pyrazol-3-amine;hydrochloride (PubChem CID 67008553) has the molecular formula C9H16ClN3O and a molecular weight of 217.70 g/mol. Its IUPAC name is 5-methyl-N-(oxan-4-yl)-1H-pyrazol-3-amine;hydrochloride.

Molecular Properties

Compound Name5-methyl-N-(oxan-4-yl)-1H-pyrazol-3-amine;hydrochloride
PubChem CID67008553
Molecular FormulaC9H16ClN3O
Molecular Weight217.70 g/mol
Exact Mass217.10
IUPAC Name5-methyl-N-(oxan-4-yl)-1H-pyrazol-3-amine;hydrochloride
SMILESCc1cc(NC2CCOCC2)n[nH]1.Cl
InChIInChI=1S/C9H15N3O.ClH/c1-7-6-9(12-11-7)10-8-2-4-13-5-3-8;/h6,8H,2-5H2,1H3,(H2,10,11,12);1H
InChIKeyPVYWUNBOEPATGU-UHFFFAOYSA-N
XLogP1.73
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.70
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(oxan-4-yl)-1H-pyrazol-3-amine;hydrochloride?
The IUPAC name of 5-methyl-N-(oxan-4-yl)-1H-pyrazol-3-amine;hydrochloride (CID 67008553) is 5-methyl-N-(oxan-4-yl)-1H-pyrazol-3-amine;hydrochloride.
What is the SMILES notation for 5-methyl-N-(oxan-4-yl)-1H-pyrazol-3-amine;hydrochloride?
The canonical SMILES for 5-methyl-N-(oxan-4-yl)-1H-pyrazol-3-amine;hydrochloride is Cc1cc(NC2CCOCC2)n[nH]1.Cl.
What is the InChIKey of 5-methyl-N-(oxan-4-yl)-1H-pyrazol-3-amine;hydrochloride?
The InChIKey is PVYWUNBOEPATGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O.ClH/c1-7-6-9(12-11-7)10-8-2-4-13-5-3-8;/h6,8H,2-5H2,1H3,(H2,10,11,12);1H.
What are the key properties of 5-methyl-N-(oxan-4-yl)-1H-pyrazol-3-amine;hydrochloride?
5-methyl-N-(oxan-4-yl)-1H-pyrazol-3-amine;hydrochloride has a molecular weight of 217.70 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(oxan-4-yl)-1H-pyrazol-3-amine;hydrochloride is sourced from PubChem (CID 67008553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).