1-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methylmethanamine;dihydrochloride

C7H14Cl3N3 — CID 86811812

IUPAC1-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methylmethanamine;dihydrochloride
SMILESCNCc1c(C)nn(C)c1Cl.Cl.Cl
InChIInChI=1S/C7H12ClN3.2ClH/c1-5-6(4-9-2)7(8)11(3)10-5;;/h9H,4H2,1-3H3;2*1H
InChIKeyWBVLROTUJCZCPI-UHFFFAOYSA-N
MW246.57 g/mol
LogP1.94
Rot. Bonds2

About 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methylmethanamine;dihydrochloride

1-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methylmethanamine;dihydrochloride (PubChem CID 86811812) has the molecular formula C7H14Cl3N3 and a molecular weight of 246.57 g/mol. Its IUPAC name is 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methylmethanamine;dihydrochloride.

Molecular Properties

Compound Name1-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methylmethanamine;dihydrochloride
PubChem CID86811812
Molecular FormulaC7H14Cl3N3
Molecular Weight246.57 g/mol
Exact Mass245.03
IUPAC Name1-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methylmethanamine;dihydrochloride
SMILESCNCc1c(C)nn(C)c1Cl.Cl.Cl
InChIInChI=1S/C7H12ClN3.2ClH/c1-5-6(4-9-2)7(8)11(3)10-5;;/h9H,4H2,1-3H3;2*1H
InChIKeyWBVLROTUJCZCPI-UHFFFAOYSA-N
XLogP1.94
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.57
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methylmethanamine;dihydrochloride?
The IUPAC name of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methylmethanamine;dihydrochloride (CID 86811812) is 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methylmethanamine;dihydrochloride.
What is the SMILES notation for 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methylmethanamine;dihydrochloride?
The canonical SMILES for 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methylmethanamine;dihydrochloride is CNCc1c(C)nn(C)c1Cl.Cl.Cl.
What is the InChIKey of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methylmethanamine;dihydrochloride?
The InChIKey is WBVLROTUJCZCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClN3.2ClH/c1-5-6(4-9-2)7(8)11(3)10-5;;/h9H,4H2,1-3H3;2*1H.
What are the key properties of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methylmethanamine;dihydrochloride?
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methylmethanamine;dihydrochloride has a molecular weight of 246.57 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methylmethanamine;dihydrochloride is sourced from PubChem (CID 86811812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).