1-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-N-methylpyrazol-4-amine;hydrochloride

C10H15ClN4O — CID 175099375

IUPAC1-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-N-methylpyrazol-4-amine;hydrochloride
SMILESCNc1cnn(Cc2nc(C)oc2C)c1.Cl
InChIInChI=1S/C10H14N4O.ClH/c1-7-10(13-8(2)15-7)6-14-5-9(11-3)4-12-14;/h4-5,11H,6H2,1-3H3;1H
InChIKeyDSJATHXLLIIPQO-UHFFFAOYSA-N
MW242.71 g/mol
LogP2.00
Rot. Bonds3

About 1-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-N-methylpyrazol-4-amine;hydrochloride

1-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-N-methylpyrazol-4-amine;hydrochloride (PubChem CID 175099375) has the molecular formula C10H15ClN4O and a molecular weight of 242.71 g/mol. Its IUPAC name is 1-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-N-methylpyrazol-4-amine;hydrochloride.

Molecular Properties

Compound Name1-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-N-methylpyrazol-4-amine;hydrochloride
PubChem CID175099375
Molecular FormulaC10H15ClN4O
Molecular Weight242.71 g/mol
Exact Mass242.09
IUPAC Name1-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-N-methylpyrazol-4-amine;hydrochloride
SMILESCNc1cnn(Cc2nc(C)oc2C)c1.Cl
InChIInChI=1S/C10H14N4O.ClH/c1-7-10(13-8(2)15-7)6-14-5-9(11-3)4-12-14;/h4-5,11H,6H2,1-3H3;1H
InChIKeyDSJATHXLLIIPQO-UHFFFAOYSA-N
XLogP2.00
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-N-methylpyrazol-4-amine;hydrochloride?
The IUPAC name of 1-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-N-methylpyrazol-4-amine;hydrochloride (CID 175099375) is 1-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-N-methylpyrazol-4-amine;hydrochloride.
What is the SMILES notation for 1-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-N-methylpyrazol-4-amine;hydrochloride?
The canonical SMILES for 1-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-N-methylpyrazol-4-amine;hydrochloride is CNc1cnn(Cc2nc(C)oc2C)c1.Cl.
What is the InChIKey of 1-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-N-methylpyrazol-4-amine;hydrochloride?
The InChIKey is DSJATHXLLIIPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O.ClH/c1-7-10(13-8(2)15-7)6-14-5-9(11-3)4-12-14;/h4-5,11H,6H2,1-3H3;1H.
What are the key properties of 1-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-N-methylpyrazol-4-amine;hydrochloride?
1-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-N-methylpyrazol-4-amine;hydrochloride has a molecular weight of 242.71 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-N-methylpyrazol-4-amine;hydrochloride is sourced from PubChem (CID 175099375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).