1-methyl-3-propoxypyrazol-4-amine;hydrochloride

C7H14ClN3O — CID 102565575

IUPAC1-methyl-3-propoxypyrazol-4-amine;hydrochloride
SMILESCCCOc1nn(C)cc1N.Cl
InChIInChI=1S/C7H13N3O.ClH/c1-3-4-11-7-6(8)5-10(2)9-7;/h5H,3-4,8H2,1-2H3;1H
InChIKeyLPKJXHOPTKJAGS-UHFFFAOYSA-N
MW191.66 g/mol
LogP1.21
Rot. Bonds3

About 1-methyl-3-propoxypyrazol-4-amine;hydrochloride

1-methyl-3-propoxypyrazol-4-amine;hydrochloride (PubChem CID 102565575) has the molecular formula C7H14ClN3O and a molecular weight of 191.66 g/mol. Its IUPAC name is 1-methyl-3-propoxypyrazol-4-amine;hydrochloride.

Molecular Properties

Compound Name1-methyl-3-propoxypyrazol-4-amine;hydrochloride
PubChem CID102565575
Molecular FormulaC7H14ClN3O
Molecular Weight191.66 g/mol
Exact Mass191.08
IUPAC Name1-methyl-3-propoxypyrazol-4-amine;hydrochloride
SMILESCCCOc1nn(C)cc1N.Cl
InChIInChI=1S/C7H13N3O.ClH/c1-3-4-11-7-6(8)5-10(2)9-7;/h5H,3-4,8H2,1-2H3;1H
InChIKeyLPKJXHOPTKJAGS-UHFFFAOYSA-N
XLogP1.21
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.66
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propoxypyrazol-4-amine;hydrochloride?
The IUPAC name of 1-methyl-3-propoxypyrazol-4-amine;hydrochloride (CID 102565575) is 1-methyl-3-propoxypyrazol-4-amine;hydrochloride.
What is the SMILES notation for 1-methyl-3-propoxypyrazol-4-amine;hydrochloride?
The canonical SMILES for 1-methyl-3-propoxypyrazol-4-amine;hydrochloride is CCCOc1nn(C)cc1N.Cl.
What is the InChIKey of 1-methyl-3-propoxypyrazol-4-amine;hydrochloride?
The InChIKey is LPKJXHOPTKJAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O.ClH/c1-3-4-11-7-6(8)5-10(2)9-7;/h5H,3-4,8H2,1-2H3;1H.
What are the key properties of 1-methyl-3-propoxypyrazol-4-amine;hydrochloride?
1-methyl-3-propoxypyrazol-4-amine;hydrochloride has a molecular weight of 191.66 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propoxypyrazol-4-amine;hydrochloride is sourced from PubChem (CID 102565575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).