1-(2-benzylpyrazol-3-yl)-N-methylmethanamine;dihydrochloride

C12H17Cl2N3 — CID 146155100

IUPAC1-(2-benzylpyrazol-3-yl)-N-methylmethanamine;dihydrochloride
SMILESCNCc1ccnn1Cc1ccccc1.Cl.Cl
InChIInChI=1S/C12H15N3.2ClH/c1-13-9-12-7-8-14-15(12)10-11-5-3-2-4-6-11;;/h2-8,13H,9-10H2,1H3;2*1H
InChIKeyBBYTUXGIYJIZGC-UHFFFAOYSA-N
MW274.20 g/mol
LogP2.49
Rot. Bonds4

About 1-(2-benzylpyrazol-3-yl)-N-methylmethanamine;dihydrochloride

1-(2-benzylpyrazol-3-yl)-N-methylmethanamine;dihydrochloride (PubChem CID 146155100) has the molecular formula C12H17Cl2N3 and a molecular weight of 274.20 g/mol. Its IUPAC name is 1-(2-benzylpyrazol-3-yl)-N-methylmethanamine;dihydrochloride.

Molecular Properties

Compound Name1-(2-benzylpyrazol-3-yl)-N-methylmethanamine;dihydrochloride
PubChem CID146155100
Molecular FormulaC12H17Cl2N3
Molecular Weight274.20 g/mol
Exact Mass273.08
IUPAC Name1-(2-benzylpyrazol-3-yl)-N-methylmethanamine;dihydrochloride
SMILESCNCc1ccnn1Cc1ccccc1.Cl.Cl
InChIInChI=1S/C12H15N3.2ClH/c1-13-9-12-7-8-14-15(12)10-11-5-3-2-4-6-11;;/h2-8,13H,9-10H2,1H3;2*1H
InChIKeyBBYTUXGIYJIZGC-UHFFFAOYSA-N
XLogP2.49
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.20
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-benzylpyrazol-3-yl)-N-methylmethanamine;dihydrochloride?
The IUPAC name of 1-(2-benzylpyrazol-3-yl)-N-methylmethanamine;dihydrochloride (CID 146155100) is 1-(2-benzylpyrazol-3-yl)-N-methylmethanamine;dihydrochloride.
What is the SMILES notation for 1-(2-benzylpyrazol-3-yl)-N-methylmethanamine;dihydrochloride?
The canonical SMILES for 1-(2-benzylpyrazol-3-yl)-N-methylmethanamine;dihydrochloride is CNCc1ccnn1Cc1ccccc1.Cl.Cl.
What is the InChIKey of 1-(2-benzylpyrazol-3-yl)-N-methylmethanamine;dihydrochloride?
The InChIKey is BBYTUXGIYJIZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3.2ClH/c1-13-9-12-7-8-14-15(12)10-11-5-3-2-4-6-11;;/h2-8,13H,9-10H2,1H3;2*1H.
What are the key properties of 1-(2-benzylpyrazol-3-yl)-N-methylmethanamine;dihydrochloride?
1-(2-benzylpyrazol-3-yl)-N-methylmethanamine;dihydrochloride has a molecular weight of 274.20 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzylpyrazol-3-yl)-N-methylmethanamine;dihydrochloride is sourced from PubChem (CID 146155100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).