[3,5-dimethyl-1-[(3-methylimidazol-4-yl)methyl]pyrazol-4-yl]methanamine

C11H17N5 — CID 66141535

IUPAC[3,5-dimethyl-1-[(3-methylimidazol-4-yl)methyl]pyrazol-4-yl]methanamine
SMILESCc1nn(Cc2cncn2C)c(C)c1CN
InChIInChI=1S/C11H17N5/c1-8-11(4-12)9(2)16(14-8)6-10-5-13-7-15(10)3/h5,7H,4,6,12H2,1-3H3
InChIKeyOJYRZRNNIMNKNL-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.74
Rot. Bonds3

About [3,5-dimethyl-1-[(3-methylimidazol-4-yl)methyl]pyrazol-4-yl]methanamine

[3,5-dimethyl-1-[(3-methylimidazol-4-yl)methyl]pyrazol-4-yl]methanamine (PubChem CID 66141535) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is [3,5-dimethyl-1-[(3-methylimidazol-4-yl)methyl]pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[3,5-dimethyl-1-[(3-methylimidazol-4-yl)methyl]pyrazol-4-yl]methanamine
PubChem CID66141535
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name[3,5-dimethyl-1-[(3-methylimidazol-4-yl)methyl]pyrazol-4-yl]methanamine
SMILESCc1nn(Cc2cncn2C)c(C)c1CN
InChIInChI=1S/C11H17N5/c1-8-11(4-12)9(2)16(14-8)6-10-5-13-7-15(10)3/h5,7H,4,6,12H2,1-3H3
InChIKeyOJYRZRNNIMNKNL-UHFFFAOYSA-N
XLogP0.74
TPSA61.66 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 ≤ 50.74
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
1-[(3-methylimidazol-4-yl)methyl]tetrazol-5-amine
CID 130834615
2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetamide
CID 43647536
[3,5-dimethyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-4-yl]methanamine
CID 64773488
[1-[(3-chloro-2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methanamine
CID 102856719
[3,5-dimethyl-1-[(3-methyl-2-pyridinyl)methyl]pyrazol-4-yl]methanamine
CID 112651057
[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3,5-dimethylpyrazol-4-yl]methanamine
CID 43647583
[1-[(1-ethylimidazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]methanamine
CID 62736781
(3,5-dimethyl-1-pent-3-ynylpyrazol-4-yl)methanamine
CID 104811561
[3,5-dimethyl-1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]methanamine
CID 43647568
[1-[(5-chloro-2-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]methanamine
CID 43647581
4-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]butanenitrile
CID 43647483

Frequently Asked Questions

What is the IUPAC name of [3,5-dimethyl-1-[(3-methylimidazol-4-yl)methyl]pyrazol-4-yl]methanamine?
The IUPAC name of [3,5-dimethyl-1-[(3-methylimidazol-4-yl)methyl]pyrazol-4-yl]methanamine (CID 66141535) is [3,5-dimethyl-1-[(3-methylimidazol-4-yl)methyl]pyrazol-4-yl]methanamine.
What is the SMILES notation for [3,5-dimethyl-1-[(3-methylimidazol-4-yl)methyl]pyrazol-4-yl]methanamine?
The canonical SMILES for [3,5-dimethyl-1-[(3-methylimidazol-4-yl)methyl]pyrazol-4-yl]methanamine is Cc1nn(Cc2cncn2C)c(C)c1CN.
What is the InChIKey of [3,5-dimethyl-1-[(3-methylimidazol-4-yl)methyl]pyrazol-4-yl]methanamine?
The InChIKey is OJYRZRNNIMNKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-8-11(4-12)9(2)16(14-8)6-10-5-13-7-15(10)3/h5,7H,4,6,12H2,1-3H3.
What are the key properties of [3,5-dimethyl-1-[(3-methylimidazol-4-yl)methyl]pyrazol-4-yl]methanamine?
[3,5-dimethyl-1-[(3-methylimidazol-4-yl)methyl]pyrazol-4-yl]methanamine has a molecular weight of 219.29 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dimethyl-1-[(3-methylimidazol-4-yl)methyl]pyrazol-4-yl]methanamine is sourced from PubChem (CID 66141535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).