N-[[4-(aminomethyl)-1-methylpyrazol-5-yl]methyl]-N-methylethanamine

C9H18N4 — CID 165448322

IUPACN-[[4-(aminomethyl)-1-methylpyrazol-5-yl]methyl]-N-methylethanamine
SMILESCCN(C)Cc1c(CN)cnn1C
InChIInChI=1S/C9H18N4/c1-4-12(2)7-9-8(5-10)6-11-13(9)3/h6H,4-5,7,10H2,1-3H3
InChIKeyQLELEHJMIWACLK-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.33
Rot. Bonds4

About N-[[4-(aminomethyl)-1-methylpyrazol-5-yl]methyl]-N-methylethanamine

N-[[4-(aminomethyl)-1-methylpyrazol-5-yl]methyl]-N-methylethanamine (PubChem CID 165448322) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is N-[[4-(aminomethyl)-1-methylpyrazol-5-yl]methyl]-N-methylethanamine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)-1-methylpyrazol-5-yl]methyl]-N-methylethanamine
PubChem CID165448322
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC NameN-[[4-(aminomethyl)-1-methylpyrazol-5-yl]methyl]-N-methylethanamine
SMILESCCN(C)Cc1c(CN)cnn1C
InChIInChI=1S/C9H18N4/c1-4-12(2)7-9-8(5-10)6-11-13(9)3/h6H,4-5,7,10H2,1-3H3
InChIKeyQLELEHJMIWACLK-UHFFFAOYSA-N
XLogP0.33
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)-1-methylpyrazol-5-yl]methyl]-N-methylethanamine?
The IUPAC name of N-[[4-(aminomethyl)-1-methylpyrazol-5-yl]methyl]-N-methylethanamine (CID 165448322) is N-[[4-(aminomethyl)-1-methylpyrazol-5-yl]methyl]-N-methylethanamine.
What is the SMILES notation for N-[[4-(aminomethyl)-1-methylpyrazol-5-yl]methyl]-N-methylethanamine?
The canonical SMILES for N-[[4-(aminomethyl)-1-methylpyrazol-5-yl]methyl]-N-methylethanamine is CCN(C)Cc1c(CN)cnn1C.
What is the InChIKey of N-[[4-(aminomethyl)-1-methylpyrazol-5-yl]methyl]-N-methylethanamine?
The InChIKey is QLELEHJMIWACLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c1-4-12(2)7-9-8(5-10)6-11-13(9)3/h6H,4-5,7,10H2,1-3H3.
What are the key properties of N-[[4-(aminomethyl)-1-methylpyrazol-5-yl]methyl]-N-methylethanamine?
N-[[4-(aminomethyl)-1-methylpyrazol-5-yl]methyl]-N-methylethanamine has a molecular weight of 182.27 g/mol, XLogP of 0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)-1-methylpyrazol-5-yl]methyl]-N-methylethanamine is sourced from PubChem (CID 165448322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).