N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)methanamine

C11H17N5 — CID 131943882

IUPACN-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)methanamine
SMILESCc1[nH]ncc1CN(C)Cc1nc[nH]c1C
InChIInChI=1S/C11H17N5/c1-8-10(4-14-15-8)5-16(3)6-11-9(2)12-7-13-11/h4,7H,5-6H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyACCAHMYXQIOWNX-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.38
Rot. Bonds4

About N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)methanamine

N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)methanamine (PubChem CID 131943882) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)methanamine.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)methanamine
PubChem CID131943882
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC NameN-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)methanamine
SMILESCc1[nH]ncc1CN(C)Cc1nc[nH]c1C
InChIInChI=1S/C11H17N5/c1-8-10(4-14-15-8)5-16(3)6-11-9(2)12-7-13-11/h4,7H,5-6H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyACCAHMYXQIOWNX-UHFFFAOYSA-N
XLogP1.38
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)methanamine?
The IUPAC name of N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)methanamine (CID 131943882) is N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)methanamine.
What is the SMILES notation for N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)methanamine?
The canonical SMILES for N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)methanamine is Cc1[nH]ncc1CN(C)Cc1nc[nH]c1C.
What is the InChIKey of N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)methanamine?
The InChIKey is ACCAHMYXQIOWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-8-10(4-14-15-8)5-16(3)6-11-9(2)12-7-13-11/h4,7H,5-6H2,1-3H3,(H,12,13)(H,14,15).
What are the key properties of N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)methanamine?
N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)methanamine has a molecular weight of 219.29 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)methanamine is sourced from PubChem (CID 131943882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).