N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(2-methyl-1H-imidazol-5-yl)methanamine

C11H17N5 — CID 103859234

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(2-methyl-1H-imidazol-5-yl)methanamine
SMILESCc1ncc(CNCc2cnn(C)c2C)[nH]1
InChIInChI=1S/C11H17N5/c1-8-10(5-14-16(8)3)4-12-6-11-7-13-9(2)15-11/h5,7,12H,4,6H2,1-3H3,(H,13,15)
InChIKeyFXMHFZVOAQMBBP-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.05
Rot. Bonds4

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(2-methyl-1H-imidazol-5-yl)methanamine

N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(2-methyl-1H-imidazol-5-yl)methanamine (PubChem CID 103859234) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(2-methyl-1H-imidazol-5-yl)methanamine.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(2-methyl-1H-imidazol-5-yl)methanamine
PubChem CID103859234
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(2-methyl-1H-imidazol-5-yl)methanamine
SMILESCc1ncc(CNCc2cnn(C)c2C)[nH]1
InChIInChI=1S/C11H17N5/c1-8-10(5-14-16(8)3)4-12-6-11-7-13-9(2)15-11/h5,7,12H,4,6H2,1-3H3,(H,13,15)
InChIKeyFXMHFZVOAQMBBP-UHFFFAOYSA-N
XLogP1.05
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(2-methyl-1H-imidazol-5-yl)methanamine?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(2-methyl-1H-imidazol-5-yl)methanamine (CID 103859234) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(2-methyl-1H-imidazol-5-yl)methanamine.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(2-methyl-1H-imidazol-5-yl)methanamine?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(2-methyl-1H-imidazol-5-yl)methanamine is Cc1ncc(CNCc2cnn(C)c2C)[nH]1.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(2-methyl-1H-imidazol-5-yl)methanamine?
The InChIKey is FXMHFZVOAQMBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-8-10(5-14-16(8)3)4-12-6-11-7-13-9(2)15-11/h5,7,12H,4,6H2,1-3H3,(H,13,15).
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(2-methyl-1H-imidazol-5-yl)methanamine?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(2-methyl-1H-imidazol-5-yl)methanamine has a molecular weight of 219.29 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(2-methyl-1H-imidazol-5-yl)methanamine is sourced from PubChem (CID 103859234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).