4-(1,2-benzoxazol-5-yl)-1-methylpyrazol-5-amine

C11H10N4O — CID 117305388

IUPAC4-(1,2-benzoxazol-5-yl)-1-methylpyrazol-5-amine
SMILESCn1ncc(-c2ccc3oncc3c2)c1N
InChIInChI=1S/C11H10N4O/c1-15-11(12)9(6-13-15)7-2-3-10-8(4-7)5-14-16-10/h2-6H,12H2,1H3
InChIKeyAOURZADYDUSIQM-UHFFFAOYSA-N
MW214.23 g/mol
LogP1.81
Rot. Bonds1

About 4-(1,2-benzoxazol-5-yl)-1-methylpyrazol-5-amine

4-(1,2-benzoxazol-5-yl)-1-methylpyrazol-5-amine (PubChem CID 117305388) has the molecular formula C11H10N4O and a molecular weight of 214.23 g/mol. Its IUPAC name is 4-(1,2-benzoxazol-5-yl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-(1,2-benzoxazol-5-yl)-1-methylpyrazol-5-amine
PubChem CID117305388
Molecular FormulaC11H10N4O
Molecular Weight214.23 g/mol
Exact Mass214.09
IUPAC Name4-(1,2-benzoxazol-5-yl)-1-methylpyrazol-5-amine
SMILESCn1ncc(-c2ccc3oncc3c2)c1N
InChIInChI=1S/C11H10N4O/c1-15-11(12)9(6-13-15)7-2-3-10-8(4-7)5-14-16-10/h2-6H,12H2,1H3
InChIKeyAOURZADYDUSIQM-UHFFFAOYSA-N
XLogP1.81
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1,2-benzoxazol-5-yl)-1H-pyrazol-5-amine
CID 117289185
4-(3,4-dimethylphenyl)-1-methylpyrazol-5-amine
CID 62901487
4-(4-bromo-3-fluorophenyl)-1-methylpyrazol-5-amine
CID 117428222
4-[3-(dimethylamino)-4-fluorophenyl]-1-methylpyrazol-5-amine
CID 115112491
4-(4-ethyl-3-methylphenyl)-1-methylpyrazol-5-amine
CID 117307110
1-methyl-4-(1-methylbenzotriazol-5-yl)pyrazol-5-amine
CID 117328812
4-(3-chloro-4-methylsulfanylphenyl)-1-methylpyrazol-5-amine
CID 117387554
5-(4-propan-2-ylphenyl)-1,2-benzoxazole
CID 146554947
4-(2,3-dimethyl-1-benzothiophen-6-yl)-1-methylpyrazol-5-amine
CID 117397140
4-(2-ethyl-1,3-benzothiazol-6-yl)-1-methylpyrazol-5-amine
CID 117399664
4-(7-methoxy-1-benzofuran-5-yl)-1-methylpyrazol-5-amine
CID 117359622
4-(3-bromo-4-cyclopropylphenyl)-1-methylpyrazol-5-amine
CID 117471763

Frequently Asked Questions

What is the IUPAC name of 4-(1,2-benzoxazol-5-yl)-1-methylpyrazol-5-amine?
The IUPAC name of 4-(1,2-benzoxazol-5-yl)-1-methylpyrazol-5-amine (CID 117305388) is 4-(1,2-benzoxazol-5-yl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-(1,2-benzoxazol-5-yl)-1-methylpyrazol-5-amine?
The canonical SMILES for 4-(1,2-benzoxazol-5-yl)-1-methylpyrazol-5-amine is Cn1ncc(-c2ccc3oncc3c2)c1N.
What is the InChIKey of 4-(1,2-benzoxazol-5-yl)-1-methylpyrazol-5-amine?
The InChIKey is AOURZADYDUSIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O/c1-15-11(12)9(6-13-15)7-2-3-10-8(4-7)5-14-16-10/h2-6H,12H2,1H3.
What are the key properties of 4-(1,2-benzoxazol-5-yl)-1-methylpyrazol-5-amine?
4-(1,2-benzoxazol-5-yl)-1-methylpyrazol-5-amine has a molecular weight of 214.23 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-benzoxazol-5-yl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 117305388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).