(3-methoxy-1H-pyrazol-5-yl)methanamine;dihydrochloride

C5H11Cl2N3O — CID 161195652

IUPAC(3-methoxy-1H-pyrazol-5-yl)methanamine;dihydrochloride
SMILESCOc1cc(CN)[nH]n1.Cl.Cl
InChIInChI=1S/C5H9N3O.2ClH/c1-9-5-2-4(3-6)7-8-5;;/h2H,3,6H2,1H3,(H,7,8);2*1H
InChIKeyUUHNULIJOPVGAK-UHFFFAOYSA-N
MW200.07 g/mol
LogP0.72
Rot. Bonds2

About (3-methoxy-1H-pyrazol-5-yl)methanamine;dihydrochloride

(3-methoxy-1H-pyrazol-5-yl)methanamine;dihydrochloride (PubChem CID 161195652) has the molecular formula C5H11Cl2N3O and a molecular weight of 200.07 g/mol. Its IUPAC name is (3-methoxy-1H-pyrazol-5-yl)methanamine;dihydrochloride.

Molecular Properties

Compound Name(3-methoxy-1H-pyrazol-5-yl)methanamine;dihydrochloride
PubChem CID161195652
Molecular FormulaC5H11Cl2N3O
Molecular Weight200.07 g/mol
Exact Mass199.03
IUPAC Name(3-methoxy-1H-pyrazol-5-yl)methanamine;dihydrochloride
SMILESCOc1cc(CN)[nH]n1.Cl.Cl
InChIInChI=1S/C5H9N3O.2ClH/c1-9-5-2-4(3-6)7-8-5;;/h2H,3,6H2,1H3,(H,7,8);2*1H
InChIKeyUUHNULIJOPVGAK-UHFFFAOYSA-N
XLogP0.72
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.07
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-methoxy-1H-pyrazol-5-yl)methanamine;dihydrochloride?
The IUPAC name of (3-methoxy-1H-pyrazol-5-yl)methanamine;dihydrochloride (CID 161195652) is (3-methoxy-1H-pyrazol-5-yl)methanamine;dihydrochloride.
What is the SMILES notation for (3-methoxy-1H-pyrazol-5-yl)methanamine;dihydrochloride?
The canonical SMILES for (3-methoxy-1H-pyrazol-5-yl)methanamine;dihydrochloride is COc1cc(CN)[nH]n1.Cl.Cl.
What is the InChIKey of (3-methoxy-1H-pyrazol-5-yl)methanamine;dihydrochloride?
The InChIKey is UUHNULIJOPVGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O.2ClH/c1-9-5-2-4(3-6)7-8-5;;/h2H,3,6H2,1H3,(H,7,8);2*1H.
What are the key properties of (3-methoxy-1H-pyrazol-5-yl)methanamine;dihydrochloride?
(3-methoxy-1H-pyrazol-5-yl)methanamine;dihydrochloride has a molecular weight of 200.07 g/mol, XLogP of 0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-1H-pyrazol-5-yl)methanamine;dihydrochloride is sourced from PubChem (CID 161195652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).