5-(3H-benzimidazol-5-yl)-1H-pyrazol-3-amine

C10H9N5 — CID 82491411

IUPAC5-(3H-benzimidazol-5-yl)-1H-pyrazol-3-amine
SMILESNc1cc(-c2ccc3nc[nH]c3c2)[nH]n1
InChIInChI=1S/C10H9N5/c11-10-4-8(14-15-10)6-1-2-7-9(3-6)13-5-12-7/h1-5H,(H,12,13)(H3,11,14,15)
InChIKeyDQKPEUXGHDXEST-UHFFFAOYSA-N
MW199.22 g/mol
LogP1.54
Rot. Bonds1

About 5-(3H-benzimidazol-5-yl)-1H-pyrazol-3-amine

5-(3H-benzimidazol-5-yl)-1H-pyrazol-3-amine (PubChem CID 82491411) has the molecular formula C10H9N5 and a molecular weight of 199.22 g/mol. Its IUPAC name is 5-(3H-benzimidazol-5-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(3H-benzimidazol-5-yl)-1H-pyrazol-3-amine
PubChem CID82491411
Molecular FormulaC10H9N5
Molecular Weight199.22 g/mol
Exact Mass199.09
IUPAC Name5-(3H-benzimidazol-5-yl)-1H-pyrazol-3-amine
SMILESNc1cc(-c2ccc3nc[nH]c3c2)[nH]n1
InChIInChI=1S/C10H9N5/c11-10-4-8(14-15-10)6-1-2-7-9(3-6)13-5-12-7/h1-5H,(H,12,13)(H3,11,14,15)
InChIKeyDQKPEUXGHDXEST-UHFFFAOYSA-N
XLogP1.54
TPSA83.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3H-benzimidazol-5-yl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(3H-benzimidazol-5-yl)-1H-pyrazol-3-amine (CID 82491411) is 5-(3H-benzimidazol-5-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(3H-benzimidazol-5-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(3H-benzimidazol-5-yl)-1H-pyrazol-3-amine is Nc1cc(-c2ccc3nc[nH]c3c2)[nH]n1.
What is the InChIKey of 5-(3H-benzimidazol-5-yl)-1H-pyrazol-3-amine?
The InChIKey is DQKPEUXGHDXEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5/c11-10-4-8(14-15-10)6-1-2-7-9(3-6)13-5-12-7/h1-5H,(H,12,13)(H3,11,14,15).
What are the key properties of 5-(3H-benzimidazol-5-yl)-1H-pyrazol-3-amine?
5-(3H-benzimidazol-5-yl)-1H-pyrazol-3-amine has a molecular weight of 199.22 g/mol, XLogP of 1.54, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3H-benzimidazol-5-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 82491411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).