4-methyl-5-(1-methylimidazol-4-yl)-1H-pyrazol-3-amine

C8H11N5 — CID 107972506

IUPAC4-methyl-5-(1-methylimidazol-4-yl)-1H-pyrazol-3-amine
SMILESCc1c(N)n[nH]c1-c1cn(C)cn1
InChIInChI=1S/C8H11N5/c1-5-7(11-12-8(5)9)6-3-13(2)4-10-6/h3-4H,1-2H3,(H3,9,11,12)
InChIKeyQQMZXQCLHVQRBJ-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.70
Rot. Bonds1

About 4-methyl-5-(1-methylimidazol-4-yl)-1H-pyrazol-3-amine

4-methyl-5-(1-methylimidazol-4-yl)-1H-pyrazol-3-amine (PubChem CID 107972506) has the molecular formula C8H11N5 and a molecular weight of 177.21 g/mol. Its IUPAC name is 4-methyl-5-(1-methylimidazol-4-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-methyl-5-(1-methylimidazol-4-yl)-1H-pyrazol-3-amine
PubChem CID107972506
Molecular FormulaC8H11N5
Molecular Weight177.21 g/mol
Exact Mass177.10
IUPAC Name4-methyl-5-(1-methylimidazol-4-yl)-1H-pyrazol-3-amine
SMILESCc1c(N)n[nH]c1-c1cn(C)cn1
InChIInChI=1S/C8H11N5/c1-5-7(11-12-8(5)9)6-3-13(2)4-10-6/h3-4H,1-2H3,(H3,9,11,12)
InChIKeyQQMZXQCLHVQRBJ-UHFFFAOYSA-N
XLogP0.70
TPSA72.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-methylimidazol-4-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 168968543
5-(1-ethyl-3-methylpyrazol-4-yl)-4-methyl-1H-pyrazol-3-amine
CID 165492207
5-methyl-6-(1-methylimidazol-4-yl)-2-propan-2-ylpyrimidin-4-amine
CID 114272827
1,4-dimethylimidazole;hydrochloride
CID 146623882
4-chloro-6-(1-methylimidazol-4-yl)-1,3,5-triazin-2-amine
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5-(5-iodothiophen-3-yl)-4-methyl-1H-pyrazol-3-amine
CID 79693706
5-fluoro-2-methyl-4-(1-methylimidazol-4-yl)aniline
CID 164903251
4-(1-methylimidazol-4-yl)pyridin-2-amine
CID 130509091
benzene;1,4-dimethylimidazole
CID 91025463
1-methyl-2-(1-methylimidazol-4-yl)imidazole
CID 15897140
4,5-dimethyl-1H-pyrazol-3-amine
CID 4737029
5-(3-bromo-4-chlorophenyl)-4-methyl-1H-pyrazol-3-amine
CID 107988567

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(1-methylimidazol-4-yl)-1H-pyrazol-3-amine?
The IUPAC name of 4-methyl-5-(1-methylimidazol-4-yl)-1H-pyrazol-3-amine (CID 107972506) is 4-methyl-5-(1-methylimidazol-4-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-methyl-5-(1-methylimidazol-4-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-methyl-5-(1-methylimidazol-4-yl)-1H-pyrazol-3-amine is Cc1c(N)n[nH]c1-c1cn(C)cn1.
What is the InChIKey of 4-methyl-5-(1-methylimidazol-4-yl)-1H-pyrazol-3-amine?
The InChIKey is QQMZXQCLHVQRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5/c1-5-7(11-12-8(5)9)6-3-13(2)4-10-6/h3-4H,1-2H3,(H3,9,11,12).
What are the key properties of 4-methyl-5-(1-methylimidazol-4-yl)-1H-pyrazol-3-amine?
4-methyl-5-(1-methylimidazol-4-yl)-1H-pyrazol-3-amine has a molecular weight of 177.21 g/mol, XLogP of 0.70, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(1-methylimidazol-4-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 107972506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).