3-(5-methyl-1H-pyrazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazol-6-ol

C11H13N3O2 — CID 136921441

IUPAC3-(5-methyl-1H-pyrazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazol-6-ol
SMILESCc1[nH]ncc1-c1noc2c1CCC(O)C2
InChIInChI=1S/C11H13N3O2/c1-6-9(5-12-13-6)11-8-3-2-7(15)4-10(8)16-14-11/h5,7,15H,2-4H2,1H3,(H,12,13)
InChIKeyCXLVTOAXQQVYHR-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.22
Rot. Bonds1

About 3-(5-methyl-1H-pyrazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazol-6-ol

3-(5-methyl-1H-pyrazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazol-6-ol (PubChem CID 136921441) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 3-(5-methyl-1H-pyrazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazol-6-ol.

Molecular Properties

Compound Name3-(5-methyl-1H-pyrazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazol-6-ol
PubChem CID136921441
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name3-(5-methyl-1H-pyrazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazol-6-ol
SMILESCc1[nH]ncc1-c1noc2c1CCC(O)C2
InChIInChI=1S/C11H13N3O2/c1-6-9(5-12-13-6)11-8-3-2-7(15)4-10(8)16-14-11/h5,7,15H,2-4H2,1H3,(H,12,13)
InChIKeyCXLVTOAXQQVYHR-UHFFFAOYSA-N
XLogP1.22
TPSA74.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1H-pyrazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazol-6-ol?
The IUPAC name of 3-(5-methyl-1H-pyrazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazol-6-ol (CID 136921441) is 3-(5-methyl-1H-pyrazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazol-6-ol.
What is the SMILES notation for 3-(5-methyl-1H-pyrazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazol-6-ol?
The canonical SMILES for 3-(5-methyl-1H-pyrazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazol-6-ol is Cc1[nH]ncc1-c1noc2c1CCC(O)C2.
What is the InChIKey of 3-(5-methyl-1H-pyrazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazol-6-ol?
The InChIKey is CXLVTOAXQQVYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-6-9(5-12-13-6)11-8-3-2-7(15)4-10(8)16-14-11/h5,7,15H,2-4H2,1H3,(H,12,13).
What are the key properties of 3-(5-methyl-1H-pyrazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazol-6-ol?
3-(5-methyl-1H-pyrazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazol-6-ol has a molecular weight of 219.24 g/mol, XLogP of 1.22, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1H-pyrazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazol-6-ol is sourced from PubChem (CID 136921441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).