(1R)-1-(1,4-dimethylpyrazol-3-yl)ethanamine;hydrochloride

C7H14ClN3 — CID 130454077

IUPAC(1R)-1-(1,4-dimethylpyrazol-3-yl)ethanamine;hydrochloride
SMILESCc1cn(C)nc1[C@@H](C)N.Cl
InChIInChI=1S/C7H13N3.ClH/c1-5-4-10(3)9-7(5)6(2)8;/h4,6H,8H2,1-3H3;1H/t6-;/m1./s1
InChIKeyMXCOZCYPRYSPLZ-FYZOBXCZSA-N
MW175.66 g/mol
LogP1.17
Rot. Bonds1

About (1R)-1-(1,4-dimethylpyrazol-3-yl)ethanamine;hydrochloride

(1R)-1-(1,4-dimethylpyrazol-3-yl)ethanamine;hydrochloride (PubChem CID 130454077) has the molecular formula C7H14ClN3 and a molecular weight of 175.66 g/mol. Its IUPAC name is (1R)-1-(1,4-dimethylpyrazol-3-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(1,4-dimethylpyrazol-3-yl)ethanamine;hydrochloride
PubChem CID130454077
Molecular FormulaC7H14ClN3
Molecular Weight175.66 g/mol
Exact Mass175.09
IUPAC Name(1R)-1-(1,4-dimethylpyrazol-3-yl)ethanamine;hydrochloride
SMILESCc1cn(C)nc1[C@@H](C)N.Cl
InChIInChI=1S/C7H13N3.ClH/c1-5-4-10(3)9-7(5)6(2)8;/h4,6H,8H2,1-3H3;1H/t6-;/m1./s1
InChIKeyMXCOZCYPRYSPLZ-FYZOBXCZSA-N
XLogP1.17
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.66
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(1,4-dimethylpyrazol-3-yl)ethanamine;hydrochloride?
The IUPAC name of (1R)-1-(1,4-dimethylpyrazol-3-yl)ethanamine;hydrochloride (CID 130454077) is (1R)-1-(1,4-dimethylpyrazol-3-yl)ethanamine;hydrochloride.
What is the SMILES notation for (1R)-1-(1,4-dimethylpyrazol-3-yl)ethanamine;hydrochloride?
The canonical SMILES for (1R)-1-(1,4-dimethylpyrazol-3-yl)ethanamine;hydrochloride is Cc1cn(C)nc1[C@@H](C)N.Cl.
What is the InChIKey of (1R)-1-(1,4-dimethylpyrazol-3-yl)ethanamine;hydrochloride?
The InChIKey is MXCOZCYPRYSPLZ-FYZOBXCZSA-N. The full InChI is InChI=1S/C7H13N3.ClH/c1-5-4-10(3)9-7(5)6(2)8;/h4,6H,8H2,1-3H3;1H/t6-;/m1./s1.
What are the key properties of (1R)-1-(1,4-dimethylpyrazol-3-yl)ethanamine;hydrochloride?
(1R)-1-(1,4-dimethylpyrazol-3-yl)ethanamine;hydrochloride has a molecular weight of 175.66 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(1,4-dimethylpyrazol-3-yl)ethanamine;hydrochloride is sourced from PubChem (CID 130454077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).