[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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Related Compounds

3-Methyl-1-(pyridin-2-yl)-1H-pyrazol-5-amine
CID 735132
1-ethyl-N-[(1-methyl-1H-pyrrol-2-yl)methyl]-1H-tetrazol-5-amine
CID 667169
2,6-bis(3-methyl-1H-pyrazol-1-yl)pyridine
CID 850137
2-(3,5-dimethyl-1H-pyrazol-1-yl)pyridine
CID 676764
4-(4-benzyl-5-methyl-4H-1,2,4-triazol-3-yl)-1-phenyl-1H-pyrazol-5-ylamine
CID 1472680
4-[5-methyl-4-(4-pyridinylmethyl)-4H-1,2,4-triazol-3-yl]-1-phenyl-1H-pyrazol-5-amine
CID 1472689
4-methyl-5-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]-4H-1,2,4-triazole-3-thiol
CID 2767882
4-[4-(3-methoxypropyl)-5-methyl-4H-1,2,4-triazol-3-yl]-1-phenyl-1H-pyrazol-5-amine
CID 3334245
4-Ethyl-3-propyl-1-(2-(pyridin-2-yl)ethyl)-1H-pyrazol-5-amine
CID 658281
1-(3-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonitrile
CID 3725674
N-propyl-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]propan-1-amine
CID 10753707
6-(3,5-Dimethylpyrazol-1-yl)pyridine-3-carboximidamide
CID 24696216

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).