4-(1,2-benzoxazol-7-yl)-1H-pyrazol-5-amine

C10H8N4O — CID 117289183

IUPAC4-(1,2-benzoxazol-7-yl)-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1-c1cccc2cnoc12
InChIInChI=1S/C10H8N4O/c11-10-8(5-12-14-10)7-3-1-2-6-4-13-15-9(6)7/h1-5H,(H3,11,12,14)
InChIKeyIMSLODDQUGQBFD-UHFFFAOYSA-N
MW200.20 g/mol
LogP1.80
Rot. Bonds1

About 4-(1,2-benzoxazol-7-yl)-1H-pyrazol-5-amine

4-(1,2-benzoxazol-7-yl)-1H-pyrazol-5-amine (PubChem CID 117289183) has the molecular formula C10H8N4O and a molecular weight of 200.20 g/mol. Its IUPAC name is 4-(1,2-benzoxazol-7-yl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(1,2-benzoxazol-7-yl)-1H-pyrazol-5-amine
PubChem CID117289183
Molecular FormulaC10H8N4O
Molecular Weight200.20 g/mol
Exact Mass200.07
IUPAC Name4-(1,2-benzoxazol-7-yl)-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1-c1cccc2cnoc12
InChIInChI=1S/C10H8N4O/c11-10-8(5-12-14-10)7-3-1-2-6-4-13-15-9(6)7/h1-5H,(H3,11,12,14)
InChIKeyIMSLODDQUGQBFD-UHFFFAOYSA-N
XLogP1.80
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,2-benzoxazol-7-yl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(1,2-benzoxazol-7-yl)-1H-pyrazol-5-amine (CID 117289183) is 4-(1,2-benzoxazol-7-yl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(1,2-benzoxazol-7-yl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(1,2-benzoxazol-7-yl)-1H-pyrazol-5-amine is Nc1[nH]ncc1-c1cccc2cnoc12.
What is the InChIKey of 4-(1,2-benzoxazol-7-yl)-1H-pyrazol-5-amine?
The InChIKey is IMSLODDQUGQBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O/c11-10-8(5-12-14-10)7-3-1-2-6-4-13-15-9(6)7/h1-5H,(H3,11,12,14).
What are the key properties of 4-(1,2-benzoxazol-7-yl)-1H-pyrazol-5-amine?
4-(1,2-benzoxazol-7-yl)-1H-pyrazol-5-amine has a molecular weight of 200.20 g/mol, XLogP of 1.80, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-benzoxazol-7-yl)-1H-pyrazol-5-amine is sourced from PubChem (CID 117289183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).