4-(3-methylbenzimidazol-5-yl)-1H-pyrazol-5-amine

C11H11N5 — CID 117304063

IUPAC4-(3-methylbenzimidazol-5-yl)-1H-pyrazol-5-amine
SMILESCn1cnc2ccc(-c3cn[nH]c3N)cc21
InChIInChI=1S/C11H11N5/c1-16-6-13-9-3-2-7(4-10(9)16)8-5-14-15-11(8)12/h2-6H,1H3,(H3,12,14,15)
InChIKeySOLWLBJFDRYJPV-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.55
Rot. Bonds1

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

4-(3-methylbenzimidazol-5-yl)-1H-pyrazol-5-amine (PubChem CID 117304063) has the molecular formula C11H11N5 and a molecular weight of 213.24 g/mol. Its IUPAC name is 4-(3-methylbenzimidazol-5-yl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(3-methylbenzimidazol-5-yl)-1H-pyrazol-5-amine
PubChem CID117304063
Molecular FormulaC11H11N5
Molecular Weight213.24 g/mol
Exact Mass213.10
IUPAC Name4-(3-methylbenzimidazol-5-yl)-1H-pyrazol-5-amine
SMILESCn1cnc2ccc(-c3cn[nH]c3N)cc21
InChIInChI=1S/C11H11N5/c1-16-6-13-9-3-2-7(4-10(9)16)8-5-14-15-11(8)12/h2-6H,1H3,(H3,12,14,15)
InChIKeySOLWLBJFDRYJPV-UHFFFAOYSA-N
XLogP1.55
TPSA72.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbenzimidazol-5-yl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(3-methylbenzimidazol-5-yl)-1H-pyrazol-5-amine (CID 117304063) is 4-(3-methylbenzimidazol-5-yl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(3-methylbenzimidazol-5-yl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(3-methylbenzimidazol-5-yl)-1H-pyrazol-5-amine is Cn1cnc2ccc(-c3cn[nH]c3N)cc21.
What is the InChIKey of 4-(3-methylbenzimidazol-5-yl)-1H-pyrazol-5-amine?
The InChIKey is SOLWLBJFDRYJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5/c1-16-6-13-9-3-2-7(4-10(9)16)8-5-14-15-11(8)12/h2-6H,1H3,(H3,12,14,15).
What are the key properties of 4-(3-methylbenzimidazol-5-yl)-1H-pyrazol-5-amine?
4-(3-methylbenzimidazol-5-yl)-1H-pyrazol-5-amine has a molecular weight of 213.24 g/mol, XLogP of 1.55, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbenzimidazol-5-yl)-1H-pyrazol-5-amine is sourced from PubChem (CID 117304063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).