N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine

C11H17N5 — CID 106104274

IUPACN-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine
SMILESCc1[nH]cnc1CNCCc1ccn(C)n1
InChIInChI=1S/C11H17N5/c1-9-11(14-8-13-9)7-12-5-3-10-4-6-16(2)15-10/h4,6,8,12H,3,5,7H2,1-2H3,(H,13,14)
InChIKeyUXPFXNXXRCAGQQ-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.78
Rot. Bonds5

About N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine

N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine (PubChem CID 106104274) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine
PubChem CID106104274
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC NameN-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine
SMILESCc1[nH]cnc1CNCCc1ccn(C)n1
InChIInChI=1S/C11H17N5/c1-9-11(14-8-13-9)7-12-5-3-10-4-6-16(2)15-10/h4,6,8,12H,3,5,7H2,1-2H3,(H,13,14)
InChIKeyUXPFXNXXRCAGQQ-UHFFFAOYSA-N
XLogP0.78
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-methylphenyl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine
CID 104626931
2-(1-methylpyrazol-3-yl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine
CID 104627051
N-[2-(1-methylpyrazol-3-yl)ethyl]prop-2-yn-1-amine
CID 106104362
N-[(5-methylfuran-2-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine
CID 104627021
2-(1-methylpyrazol-3-yl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine
CID 114143921
2-(1-methylpyrazol-3-yl)-N-[(1-methyltriazol-4-yl)methyl]ethanamine
CID 104626854
2-(2-fluorophenyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine
CID 62748309
N-[(5-methyl-1H-imidazol-4-yl)methyl]-N',N'-bis[2-[(5-methyl-1H-imidazol-4-yl)methylamino]ethyl]ethane-1,2-diamine
CID 102599835
(E)-N-[2-(1-methylpyrazol-3-yl)ethyl]but-2-en-1-amine
CID 106104491
2-[2-(1-methylpyrazol-3-yl)ethylamino]acetic acid
CID 106104698
N-[(2-chlorophenyl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine
CID 113434541
N-(furan-3-ylmethyl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 104626797

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine?
The IUPAC name of N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine (CID 106104274) is N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine is Cc1[nH]cnc1CNCCc1ccn(C)n1.
What is the InChIKey of N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine?
The InChIKey is UXPFXNXXRCAGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-9-11(14-8-13-9)7-12-5-3-10-4-6-16(2)15-10/h4,6,8,12H,3,5,7H2,1-2H3,(H,13,14).
What are the key properties of N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine?
N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine has a molecular weight of 219.29 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 106104274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).