1-[1,3-dimethyl-5-(2-methylimidazol-1-yl)pyrazol-4-yl]-N-methylmethanamine

C11H17N5 — CID 43282174

IUPAC1-[1,3-dimethyl-5-(2-methylimidazol-1-yl)pyrazol-4-yl]-N-methylmethanamine
SMILESCNCc1c(C)nn(C)c1-n1ccnc1C
InChIInChI=1S/C11H17N5/c1-8-10(7-12-3)11(15(4)14-8)16-6-5-13-9(16)2/h5-6,12H,7H2,1-4H3
InChIKeyPXHMHKZSJUMZBJ-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.94
Rot. Bonds3

About 1-[1,3-dimethyl-5-(2-methylimidazol-1-yl)pyrazol-4-yl]-N-methylmethanamine

1-[1,3-dimethyl-5-(2-methylimidazol-1-yl)pyrazol-4-yl]-N-methylmethanamine (PubChem CID 43282174) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-[1,3-dimethyl-5-(2-methylimidazol-1-yl)pyrazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1,3-dimethyl-5-(2-methylimidazol-1-yl)pyrazol-4-yl]-N-methylmethanamine
PubChem CID43282174
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name1-[1,3-dimethyl-5-(2-methylimidazol-1-yl)pyrazol-4-yl]-N-methylmethanamine
SMILESCNCc1c(C)nn(C)c1-n1ccnc1C
InChIInChI=1S/C11H17N5/c1-8-10(7-12-3)11(15(4)14-8)16-6-5-13-9(16)2/h5-6,12H,7H2,1-4H3
InChIKeyPXHMHKZSJUMZBJ-UHFFFAOYSA-N
XLogP0.94
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1,3-dimethyl-5-(2-methylimidazol-1-yl)pyrazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1,3-dimethyl-5-(2-methylimidazol-1-yl)pyrazol-4-yl]-N-methylmethanamine (CID 43282174) is 1-[1,3-dimethyl-5-(2-methylimidazol-1-yl)pyrazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1,3-dimethyl-5-(2-methylimidazol-1-yl)pyrazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1,3-dimethyl-5-(2-methylimidazol-1-yl)pyrazol-4-yl]-N-methylmethanamine is CNCc1c(C)nn(C)c1-n1ccnc1C.
What is the InChIKey of 1-[1,3-dimethyl-5-(2-methylimidazol-1-yl)pyrazol-4-yl]-N-methylmethanamine?
The InChIKey is PXHMHKZSJUMZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-8-10(7-12-3)11(15(4)14-8)16-6-5-13-9(16)2/h5-6,12H,7H2,1-4H3.
What are the key properties of 1-[1,3-dimethyl-5-(2-methylimidazol-1-yl)pyrazol-4-yl]-N-methylmethanamine?
1-[1,3-dimethyl-5-(2-methylimidazol-1-yl)pyrazol-4-yl]-N-methylmethanamine has a molecular weight of 219.29 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,3-dimethyl-5-(2-methylimidazol-1-yl)pyrazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 43282174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).