5-(5,6-dihydro-1H-benzimidazol-2-yl)-1H-pyrazol-4-amine;ethane

C12H17N5 — CID 144612133

IUPAC5-(5,6-dihydro-1H-benzimidazol-2-yl)-1H-pyrazol-4-amine;ethane
SMILESCC.Nc1cn[nH]c1-c1nc2c([nH]1)=CCCC=2
InChIInChI=1S/C10H11N5.C2H6/c11-6-5-12-15-9(6)10-13-7-3-1-2-4-8(7)14-10;1-2/h3-5H,1-2,11H2,(H,12,15)(H,13,14);1-2H3
InChIKeyYKFQWEJTPCEEJL-UHFFFAOYSA-N
MW231.30 g/mol
LogP0.76
Rot. Bonds1

About 5-(5,6-dihydro-1H-benzimidazol-2-yl)-1H-pyrazol-4-amine;ethane

5-(5,6-dihydro-1H-benzimidazol-2-yl)-1H-pyrazol-4-amine;ethane (PubChem CID 144612133) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 5-(5,6-dihydro-1H-benzimidazol-2-yl)-1H-pyrazol-4-amine;ethane.

Molecular Properties

Compound Name5-(5,6-dihydro-1H-benzimidazol-2-yl)-1H-pyrazol-4-amine;ethane
PubChem CID144612133
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name5-(5,6-dihydro-1H-benzimidazol-2-yl)-1H-pyrazol-4-amine;ethane
SMILESCC.Nc1cn[nH]c1-c1nc2c([nH]1)=CCCC=2
InChIInChI=1S/C10H11N5.C2H6/c11-6-5-12-15-9(6)10-13-7-3-1-2-4-8(7)14-10;1-2/h3-5H,1-2,11H2,(H,12,15)(H,13,14);1-2H3
InChIKeyYKFQWEJTPCEEJL-UHFFFAOYSA-N
XLogP0.76
TPSA83.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(5,6-dihydro-1H-benzimidazol-2-yl)-1H-pyrazol-4-amine;ethane?
The IUPAC name of 5-(5,6-dihydro-1H-benzimidazol-2-yl)-1H-pyrazol-4-amine;ethane (CID 144612133) is 5-(5,6-dihydro-1H-benzimidazol-2-yl)-1H-pyrazol-4-amine;ethane.
What is the SMILES notation for 5-(5,6-dihydro-1H-benzimidazol-2-yl)-1H-pyrazol-4-amine;ethane?
The canonical SMILES for 5-(5,6-dihydro-1H-benzimidazol-2-yl)-1H-pyrazol-4-amine;ethane is CC.Nc1cn[nH]c1-c1nc2c([nH]1)=CCCC=2.
What is the InChIKey of 5-(5,6-dihydro-1H-benzimidazol-2-yl)-1H-pyrazol-4-amine;ethane?
The InChIKey is YKFQWEJTPCEEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5.C2H6/c11-6-5-12-15-9(6)10-13-7-3-1-2-4-8(7)14-10;1-2/h3-5H,1-2,11H2,(H,12,15)(H,13,14);1-2H3.
What are the key properties of 5-(5,6-dihydro-1H-benzimidazol-2-yl)-1H-pyrazol-4-amine;ethane?
5-(5,6-dihydro-1H-benzimidazol-2-yl)-1H-pyrazol-4-amine;ethane has a molecular weight of 231.30 g/mol, XLogP of 0.76, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,6-dihydro-1H-benzimidazol-2-yl)-1H-pyrazol-4-amine;ethane is sourced from PubChem (CID 144612133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).