(R)-(1,4-dimethylpyrazol-3-yl)-(1-methylcyclopentyl)methanamine;dihydrochloride

C12H23Cl2N3 — CID 155973718

IUPAC(R)-(1,4-dimethylpyrazol-3-yl)-(1-methylcyclopentyl)methanamine;dihydrochloride
SMILESCc1cn(C)nc1[C@H](N)C1(C)CCCC1.Cl.Cl
InChIInChI=1S/C12H21N3.2ClH/c1-9-8-15(3)14-10(9)11(13)12(2)6-4-5-7-12;;/h8,11H,4-7,13H2,1-3H3;2*1H/t11-;;/m0../s1
InChIKeyQNKBGBOKCBFEKE-IDMXKUIJSA-N
MW280.24 g/mol
LogP3.15
Rot. Bonds2

About (R)-(1,4-dimethylpyrazol-3-yl)-(1-methylcyclopentyl)methanamine;dihydrochloride

(R)-(1,4-dimethylpyrazol-3-yl)-(1-methylcyclopentyl)methanamine;dihydrochloride (PubChem CID 155973718) has the molecular formula C12H23Cl2N3 and a molecular weight of 280.24 g/mol. Its IUPAC name is (R)-(1,4-dimethylpyrazol-3-yl)-(1-methylcyclopentyl)methanamine;dihydrochloride.

Molecular Properties

Compound Name(R)-(1,4-dimethylpyrazol-3-yl)-(1-methylcyclopentyl)methanamine;dihydrochloride
PubChem CID155973718
Molecular FormulaC12H23Cl2N3
Molecular Weight280.24 g/mol
Exact Mass279.13
IUPAC Name(R)-(1,4-dimethylpyrazol-3-yl)-(1-methylcyclopentyl)methanamine;dihydrochloride
SMILESCc1cn(C)nc1[C@H](N)C1(C)CCCC1.Cl.Cl
InChIInChI=1S/C12H21N3.2ClH/c1-9-8-15(3)14-10(9)11(13)12(2)6-4-5-7-12;;/h8,11H,4-7,13H2,1-3H3;2*1H/t11-;;/m0../s1
InChIKeyQNKBGBOKCBFEKE-IDMXKUIJSA-N
XLogP3.15
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.24
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (R)-(1,4-dimethylpyrazol-3-yl)-(1-methylcyclopentyl)methanamine;dihydrochloride?
The IUPAC name of (R)-(1,4-dimethylpyrazol-3-yl)-(1-methylcyclopentyl)methanamine;dihydrochloride (CID 155973718) is (R)-(1,4-dimethylpyrazol-3-yl)-(1-methylcyclopentyl)methanamine;dihydrochloride.
What is the SMILES notation for (R)-(1,4-dimethylpyrazol-3-yl)-(1-methylcyclopentyl)methanamine;dihydrochloride?
The canonical SMILES for (R)-(1,4-dimethylpyrazol-3-yl)-(1-methylcyclopentyl)methanamine;dihydrochloride is Cc1cn(C)nc1[C@H](N)C1(C)CCCC1.Cl.Cl.
What is the InChIKey of (R)-(1,4-dimethylpyrazol-3-yl)-(1-methylcyclopentyl)methanamine;dihydrochloride?
The InChIKey is QNKBGBOKCBFEKE-IDMXKUIJSA-N. The full InChI is InChI=1S/C12H21N3.2ClH/c1-9-8-15(3)14-10(9)11(13)12(2)6-4-5-7-12;;/h8,11H,4-7,13H2,1-3H3;2*1H/t11-;;/m0../s1.
What are the key properties of (R)-(1,4-dimethylpyrazol-3-yl)-(1-methylcyclopentyl)methanamine;dihydrochloride?
(R)-(1,4-dimethylpyrazol-3-yl)-(1-methylcyclopentyl)methanamine;dihydrochloride has a molecular weight of 280.24 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(1,4-dimethylpyrazol-3-yl)-(1-methylcyclopentyl)methanamine;dihydrochloride is sourced from PubChem (CID 155973718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).