5-(6-tert-butyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-amine

C14H17N5 — CID 155678873

IUPAC5-(6-tert-butyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-amine
SMILESCC(C)(C)c1ccc2nc(-c3[nH]ncc3N)[nH]c2c1
InChIInChI=1S/C14H17N5/c1-14(2,3)8-4-5-10-11(6-8)18-13(17-10)12-9(15)7-16-19-12/h4-7H,15H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyCQDKFZNLHTZYMR-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.83
Rot. Bonds1

About 5-(6-tert-butyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-amine

5-(6-tert-butyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-amine (PubChem CID 155678873) has the molecular formula C14H17N5 and a molecular weight of 255.32 g/mol. Its IUPAC name is 5-(6-tert-butyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-amine.

Molecular Properties

Compound Name5-(6-tert-butyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-amine
PubChem CID155678873
Molecular FormulaC14H17N5
Molecular Weight255.32 g/mol
Exact Mass255.15
IUPAC Name5-(6-tert-butyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-amine
SMILESCC(C)(C)c1ccc2nc(-c3[nH]ncc3N)[nH]c2c1
InChIInChI=1S/C14H17N5/c1-14(2,3)8-4-5-10-11(6-8)18-13(17-10)12-9(15)7-16-19-12/h4-7H,15H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyCQDKFZNLHTZYMR-UHFFFAOYSA-N
XLogP2.83
TPSA83.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(6-tert-butyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-amine?
The IUPAC name of 5-(6-tert-butyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-amine (CID 155678873) is 5-(6-tert-butyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-amine.
What is the SMILES notation for 5-(6-tert-butyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-amine?
The canonical SMILES for 5-(6-tert-butyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-amine is CC(C)(C)c1ccc2nc(-c3[nH]ncc3N)[nH]c2c1.
What is the InChIKey of 5-(6-tert-butyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-amine?
The InChIKey is CQDKFZNLHTZYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5/c1-14(2,3)8-4-5-10-11(6-8)18-13(17-10)12-9(15)7-16-19-12/h4-7H,15H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of 5-(6-tert-butyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-amine?
5-(6-tert-butyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-amine has a molecular weight of 255.32 g/mol, XLogP of 2.83, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-tert-butyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-amine is sourced from PubChem (CID 155678873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).