[5-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazol-4-yl]methanamine

C11H16N4 — CID 79686695

IUPAC[5-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazol-4-yl]methanamine
SMILESCc1ccc(C)n1-c1c(CN)cnn1C
InChIInChI=1S/C11H16N4/c1-8-4-5-9(2)15(8)11-10(6-12)7-13-14(11)3/h4-5,7H,6,12H2,1-3H3
InChIKeyJTLSSFBARFKBEF-UHFFFAOYSA-N
MW204.28 g/mol
LogP1.29
Rot. Bonds2

About [5-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazol-4-yl]methanamine

[5-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazol-4-yl]methanamine (PubChem CID 79686695) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is [5-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazol-4-yl]methanamine
PubChem CID79686695
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name[5-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazol-4-yl]methanamine
SMILESCc1ccc(C)n1-c1c(CN)cnn1C
InChIInChI=1S/C11H16N4/c1-8-4-5-9(2)15(8)11-10(6-12)7-13-14(11)3/h4-5,7H,6,12H2,1-3H3
InChIKeyJTLSSFBARFKBEF-UHFFFAOYSA-N
XLogP1.29
TPSA48.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazol-4-yl]methanamine?
The IUPAC name of [5-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazol-4-yl]methanamine (CID 79686695) is [5-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazol-4-yl]methanamine.
What is the SMILES notation for [5-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazol-4-yl]methanamine?
The canonical SMILES for [5-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazol-4-yl]methanamine is Cc1ccc(C)n1-c1c(CN)cnn1C.
What is the InChIKey of [5-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazol-4-yl]methanamine?
The InChIKey is JTLSSFBARFKBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c1-8-4-5-9(2)15(8)11-10(6-12)7-13-14(11)3/h4-5,7H,6,12H2,1-3H3.
What are the key properties of [5-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazol-4-yl]methanamine?
[5-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazol-4-yl]methanamine has a molecular weight of 204.28 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazol-4-yl]methanamine is sourced from PubChem (CID 79686695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).