1-(1,3-dimethylpyrazol-4-yl)-N-(1H-imidazol-5-ylmethyl)ethanamine

C11H17N5 — CID 63379017

IUPAC1-(1,3-dimethylpyrazol-4-yl)-N-(1H-imidazol-5-ylmethyl)ethanamine
SMILESCc1nn(C)cc1C(C)NCc1cnc[nH]1
InChIInChI=1S/C11H17N5/c1-8(11-6-16(3)15-9(11)2)13-5-10-4-12-7-14-10/h4,6-8,13H,5H2,1-3H3,(H,12,14)
InChIKeyILYKMRMGFMPJQO-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.30
Rot. Bonds4

About 1-(1,3-dimethylpyrazol-4-yl)-N-(1H-imidazol-5-ylmethyl)ethanamine

1-(1,3-dimethylpyrazol-4-yl)-N-(1H-imidazol-5-ylmethyl)ethanamine (PubChem CID 63379017) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)-N-(1H-imidazol-5-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)-N-(1H-imidazol-5-ylmethyl)ethanamine
PubChem CID63379017
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)-N-(1H-imidazol-5-ylmethyl)ethanamine
SMILESCc1nn(C)cc1C(C)NCc1cnc[nH]1
InChIInChI=1S/C11H17N5/c1-8(11-6-16(3)15-9(11)2)13-5-10-4-12-7-14-10/h4,6-8,13H,5H2,1-3H3,(H,12,14)
InChIKeyILYKMRMGFMPJQO-UHFFFAOYSA-N
XLogP1.30
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 ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-dimethylpyrazol-4-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 63379064
1-(1,3-dimethylpyrazol-4-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine
CID 65196877
1-(1,3-dimethylpyrazol-4-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 63378657
1-(2,4-dichloro-5-fluorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine
CID 62999160
(2R)-1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]propan-2-ol
CID 103906693
1-(1,3-dimethylpyrazol-4-yl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]ethanamine
CID 19625559
1-(1,3-dimethylpyrazol-4-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 65197135
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,2,2-trifluoroethanamine
CID 65192198
1-(1,3-dimethylpyrazol-4-yl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 104577605
(1R)-N-(1H-imidazol-5-ylmethyl)-1-phenylethanamine
CID 63714042
1-(2,5-difluorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine
CID 62762989
N-[(2-chlorophenyl)methyl]-1-(1,3-dimethylpyrazol-4-yl)ethanamine
CID 63378794

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-N-(1H-imidazol-5-ylmethyl)ethanamine?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-N-(1H-imidazol-5-ylmethyl)ethanamine (CID 63379017) is 1-(1,3-dimethylpyrazol-4-yl)-N-(1H-imidazol-5-ylmethyl)ethanamine.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)-N-(1H-imidazol-5-ylmethyl)ethanamine?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)-N-(1H-imidazol-5-ylmethyl)ethanamine is Cc1nn(C)cc1C(C)NCc1cnc[nH]1.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)-N-(1H-imidazol-5-ylmethyl)ethanamine?
The InChIKey is ILYKMRMGFMPJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-8(11-6-16(3)15-9(11)2)13-5-10-4-12-7-14-10/h4,6-8,13H,5H2,1-3H3,(H,12,14).
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)-N-(1H-imidazol-5-ylmethyl)ethanamine?
1-(1,3-dimethylpyrazol-4-yl)-N-(1H-imidazol-5-ylmethyl)ethanamine has a molecular weight of 219.29 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazol-4-yl)-N-(1H-imidazol-5-ylmethyl)ethanamine is sourced from PubChem (CID 63379017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).