(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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Related Compounds

(R)-(1,4-dimethylpyrazol-3-yl)-(1-methylcyclopentyl)methanamine;hydrochloride
CID 146444800
1-(4-cyclopentyl-1-methylpyrazol-3-yl)ethanamine
CID 105422890
[(2S)-4,4-difluoro-2-methyloxolan-2-yl]-(1,4-dimethylpyrazol-3-yl)methanamine
CID 146444856
1-[4-(4-bromophenyl)-1-methylpyrazol-3-yl]ethanamine
CID 105423937
CID 142335085
CID 142335085
3-(difluoromethyl)-1-methylpyrazol-4-amine;hydrochloride
CID 121215468
1-(2,5-dimethyltriazol-4-yl)ethanamine
CID 82594205
2-(1,4-dimethylpyrazol-3-yl)-2-(1-methylcyclopent-3-en-1-yl)acetamide
CID 175955796
1-(3-cyclopropyl-1-methylpyrazol-4-yl)ethanamine
CID 83826860
1-(1,4,5-trimethylpyrazol-3-yl)ethanamine
CID 82595274
(2S)-1-(1,3-dimethylpyrazol-4-yl)propan-2-amine
CID 40599781
1-(1,3-dimethylpyrazol-4-yl)propan-2-amine
CID 19585896

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).