2-N-methyl-2-N-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]propane-1,2-diamine;hydrochloride

C15H23ClN4 — CID 120840429

IUPAC2-N-methyl-2-N-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]propane-1,2-diamine;hydrochloride
SMILESCc1ccccc1-n1nccc1CN(C)C(C)CN.Cl
InChIInChI=1S/C15H22N4.ClH/c1-12-6-4-5-7-15(12)19-14(8-9-17-19)11-18(3)13(2)10-16;/h4-9,13H,10-11,16H2,1-3H3;1H
InChIKeyTWYWLBUHMNXXSX-UHFFFAOYSA-N
MW294.83 g/mol
LogP2.38
Rot. Bonds5

About 2-N-methyl-2-N-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]propane-1,2-diamine;hydrochloride

2-N-methyl-2-N-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]propane-1,2-diamine;hydrochloride (PubChem CID 120840429) has the molecular formula C15H23ClN4 and a molecular weight of 294.83 g/mol. Its IUPAC name is 2-N-methyl-2-N-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]propane-1,2-diamine;hydrochloride.

Molecular Properties

Compound Name2-N-methyl-2-N-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]propane-1,2-diamine;hydrochloride
PubChem CID120840429
Molecular FormulaC15H23ClN4
Molecular Weight294.83 g/mol
Exact Mass294.16
IUPAC Name2-N-methyl-2-N-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]propane-1,2-diamine;hydrochloride
SMILESCc1ccccc1-n1nccc1CN(C)C(C)CN.Cl
InChIInChI=1S/C15H22N4.ClH/c1-12-6-4-5-7-15(12)19-14(8-9-17-19)11-18(3)13(2)10-16;/h4-9,13H,10-11,16H2,1-3H3;1H
InChIKeyTWYWLBUHMNXXSX-UHFFFAOYSA-N
XLogP2.38
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]propane-1,2-diamine;hydrochloride?
The IUPAC name of 2-N-methyl-2-N-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]propane-1,2-diamine;hydrochloride (CID 120840429) is 2-N-methyl-2-N-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]propane-1,2-diamine;hydrochloride.
What is the SMILES notation for 2-N-methyl-2-N-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]propane-1,2-diamine;hydrochloride?
The canonical SMILES for 2-N-methyl-2-N-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]propane-1,2-diamine;hydrochloride is Cc1ccccc1-n1nccc1CN(C)C(C)CN.Cl.
What is the InChIKey of 2-N-methyl-2-N-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]propane-1,2-diamine;hydrochloride?
The InChIKey is TWYWLBUHMNXXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4.ClH/c1-12-6-4-5-7-15(12)19-14(8-9-17-19)11-18(3)13(2)10-16;/h4-9,13H,10-11,16H2,1-3H3;1H.
What are the key properties of 2-N-methyl-2-N-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]propane-1,2-diamine;hydrochloride?
2-N-methyl-2-N-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]propane-1,2-diamine;hydrochloride has a molecular weight of 294.83 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]propane-1,2-diamine;hydrochloride is sourced from PubChem (CID 120840429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).