N-[[3-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]methyl]ethanamine

C12H19N5 — CID 82871442

IUPACN-[[3-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(Cc2ccn(C)n2)nc1C
InChIInChI=1S/C12H19N5/c1-4-13-7-11-8-17(14-10(11)2)9-12-5-6-16(3)15-12/h5-6,8,13H,4,7,9H2,1-3H3
InChIKeyICQBEVPKWKLPBT-UHFFFAOYSA-N
MW233.32 g/mol
LogP1.08
Rot. Bonds5

About N-[[3-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]methyl]ethanamine

N-[[3-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]methyl]ethanamine (PubChem CID 82871442) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is N-[[3-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]methyl]ethanamine
PubChem CID82871442
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC NameN-[[3-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(Cc2ccn(C)n2)nc1C
InChIInChI=1S/C12H19N5/c1-4-13-7-11-8-17(14-10(11)2)9-12-5-6-16(3)15-12/h5-6,8,13H,4,7,9H2,1-3H3
InChIKeyICQBEVPKWKLPBT-UHFFFAOYSA-N
XLogP1.08
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[3-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]methyl]ethanamine (CID 82871442) is N-[[3-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]methyl]ethanamine is CCNCc1cn(Cc2ccn(C)n2)nc1C.
What is the InChIKey of N-[[3-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]methyl]ethanamine?
The InChIKey is ICQBEVPKWKLPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-4-13-7-11-8-17(14-10(11)2)9-12-5-6-16(3)15-12/h5-6,8,13H,4,7,9H2,1-3H3.
What are the key properties of N-[[3-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]methyl]ethanamine?
N-[[3-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]methyl]ethanamine has a molecular weight of 233.32 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 82871442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).