[1-[(1-ethylimidazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]methanamine

C12H19N5 — CID 62736781

IUPAC[1-[(1-ethylimidazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]methanamine
SMILESCCn1ccnc1Cn1nc(C)c(CN)c1C
InChIInChI=1S/C12H19N5/c1-4-16-6-5-14-12(16)8-17-10(3)11(7-13)9(2)15-17/h5-6H,4,7-8,13H2,1-3H3
InChIKeyZDOGKAGDHUNYIS-UHFFFAOYSA-N
MW233.32 g/mol
LogP1.22
Rot. Bonds4

About [1-[(1-ethylimidazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]methanamine

[1-[(1-ethylimidazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]methanamine (PubChem CID 62736781) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is [1-[(1-ethylimidazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[(1-ethylimidazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]methanamine
PubChem CID62736781
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name[1-[(1-ethylimidazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]methanamine
SMILESCCn1ccnc1Cn1nc(C)c(CN)c1C
InChIInChI=1S/C12H19N5/c1-4-16-6-5-14-12(16)8-17-10(3)11(7-13)9(2)15-17/h5-6H,4,7-8,13H2,1-3H3
InChIKeyZDOGKAGDHUNYIS-UHFFFAOYSA-N
XLogP1.22
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3,5-dimethyl-1-(pyrimidin-2-ylmethyl)pyrazol-4-yl]methanamine
CID 62697887
[3,5-dimethyl-1-[(3-methyl-2-pyridinyl)methyl]pyrazol-4-yl]methanamine
CID 112651057
1-ethyl-2-[(2-methylimidazol-1-yl)methyl]imidazole
CID 62406588
3,5-dibromo-1-[(1-ethylimidazol-2-yl)methyl]pyrazole
CID 114692754
[3,5-dimethyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-4-yl]methanamine
CID 64773488
[3,5-dimethyl-1-[(3-methylimidazol-4-yl)methyl]pyrazol-4-yl]methanamine
CID 66141535
[5-(2-ethylimidazol-1-yl)-1,3-dimethylpyrazol-4-yl]methanamine
CID 61404931
1-ethyl-2-(iodomethyl)imidazole
CID 64786618
2-butyl-1-ethylimidazole;hydrochloride
CID 173083631
[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3,5-dimethylpyrazol-4-yl]methanamine
CID 43647583
1-[(1-ethylimidazol-2-yl)methyl]imidazole-4-carboxylic acid
CID 106717050
3,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]pyrazole-4-carboxylic acid
CID 43565398

Frequently Asked Questions

What is the IUPAC name of [1-[(1-ethylimidazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]methanamine?
The IUPAC name of [1-[(1-ethylimidazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]methanamine (CID 62736781) is [1-[(1-ethylimidazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]methanamine.
What is the SMILES notation for [1-[(1-ethylimidazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]methanamine?
The canonical SMILES for [1-[(1-ethylimidazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]methanamine is CCn1ccnc1Cn1nc(C)c(CN)c1C.
What is the InChIKey of [1-[(1-ethylimidazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]methanamine?
The InChIKey is ZDOGKAGDHUNYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-4-16-6-5-14-12(16)8-17-10(3)11(7-13)9(2)15-17/h5-6H,4,7-8,13H2,1-3H3.
What are the key properties of [1-[(1-ethylimidazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]methanamine?
[1-[(1-ethylimidazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]methanamine has a molecular weight of 233.32 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1-ethylimidazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]methanamine is sourced from PubChem (CID 62736781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).