[5-(2-methylpyrazol-3-yl)-1H-imidazol-2-yl]methanamine

C8H11N5 — CID 136847526

IUPAC[5-(2-methylpyrazol-3-yl)-1H-imidazol-2-yl]methanamine
SMILESCn1nccc1-c1cnc(CN)[nH]1
InChIInChI=1S/C8H11N5/c1-13-7(2-3-11-13)6-5-10-8(4-9)12-6/h2-3,5H,4,9H2,1H3,(H,10,12)
InChIKeySMRRKSRAKKAYCE-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.27
Rot. Bonds2

About [5-(2-methylpyrazol-3-yl)-1H-imidazol-2-yl]methanamine

[5-(2-methylpyrazol-3-yl)-1H-imidazol-2-yl]methanamine (PubChem CID 136847526) has the molecular formula C8H11N5 and a molecular weight of 177.21 g/mol. Its IUPAC name is [5-(2-methylpyrazol-3-yl)-1H-imidazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(2-methylpyrazol-3-yl)-1H-imidazol-2-yl]methanamine
PubChem CID136847526
Molecular FormulaC8H11N5
Molecular Weight177.21 g/mol
Exact Mass177.10
IUPAC Name[5-(2-methylpyrazol-3-yl)-1H-imidazol-2-yl]methanamine
SMILESCn1nccc1-c1cnc(CN)[nH]1
InChIInChI=1S/C8H11N5/c1-13-7(2-3-11-13)6-5-10-8(4-9)12-6/h2-3,5H,4,9H2,1H3,(H,10,12)
InChIKeySMRRKSRAKKAYCE-UHFFFAOYSA-N
XLogP0.27
TPSA72.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(2-methylpyrazol-3-yl)-1H-imidazol-2-yl]methanamine?
The IUPAC name of [5-(2-methylpyrazol-3-yl)-1H-imidazol-2-yl]methanamine (CID 136847526) is [5-(2-methylpyrazol-3-yl)-1H-imidazol-2-yl]methanamine.
What is the SMILES notation for [5-(2-methylpyrazol-3-yl)-1H-imidazol-2-yl]methanamine?
The canonical SMILES for [5-(2-methylpyrazol-3-yl)-1H-imidazol-2-yl]methanamine is Cn1nccc1-c1cnc(CN)[nH]1.
What is the InChIKey of [5-(2-methylpyrazol-3-yl)-1H-imidazol-2-yl]methanamine?
The InChIKey is SMRRKSRAKKAYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5/c1-13-7(2-3-11-13)6-5-10-8(4-9)12-6/h2-3,5H,4,9H2,1H3,(H,10,12).
What are the key properties of [5-(2-methylpyrazol-3-yl)-1H-imidazol-2-yl]methanamine?
[5-(2-methylpyrazol-3-yl)-1H-imidazol-2-yl]methanamine has a molecular weight of 177.21 g/mol, XLogP of 0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methylpyrazol-3-yl)-1H-imidazol-2-yl]methanamine is sourced from PubChem (CID 136847526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).