4-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1H-pyrazol-5-amine

C13H12N4O — CID 117353133

IUPAC4-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1-c1ccc2oc(C3CC3)nc2c1
InChIInChI=1S/C13H12N4O/c14-12-9(6-15-17-12)8-3-4-11-10(5-8)16-13(18-11)7-1-2-7/h3-7H,1-2H2,(H3,14,15,17)
InChIKeyZYJBHBYJSFHWEP-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.68
Rot. Bonds2

About 4-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1H-pyrazol-5-amine

4-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1H-pyrazol-5-amine (PubChem CID 117353133) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 4-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1H-pyrazol-5-amine
PubChem CID117353133
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name4-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1-c1ccc2oc(C3CC3)nc2c1
InChIInChI=1S/C13H12N4O/c14-12-9(6-15-17-12)8-3-4-11-10(5-8)16-13(18-11)7-1-2-7/h3-7H,1-2H2,(H3,14,15,17)
InChIKeyZYJBHBYJSFHWEP-UHFFFAOYSA-N
XLogP2.68
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-cyclopropyl-1,3-benzoxazol-5-yl)-6-methylpyrimidin-2-amine
CID 39749767
4-(1,2-benzoxazol-5-yl)-1H-pyrazol-5-amine
CID 117289185
4-(1-benzofuran-5-yl)-1H-pyrazol-5-amine
CID 117288402
2-cyclohexyl-1,3-benzoxazol-5-amine
CID 770201
4-(2-methyl-1-benzofuran-6-yl)-1H-pyrazol-5-amine
CID 117304034
4-[3-bromo-4-(oxolan-3-yl)phenyl]-1H-pyrazol-5-amine
CID 117493096
cis-(1S,3R)-3-(5-bromo-1,3-benzoxazol-2-yl)cyclopentan-1-amine
CID 106323731
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1H-pyrazole-5-sulfonamide
CID 102692573
4-(4-piperidin-4-ylphenyl)-1H-pyrazol-5-amine
CID 117358172
4-(3-bromo-4-cyclopropyloxyphenyl)-1H-pyrazol-5-amine
CID 117474465
1-(2-cyclopropyl-1,3-benzoxazol-5-yl)cyclopropan-1-ol
CID 117306724
4-(1,3-benzothiazol-5-yl)-1H-pyrazol-5-amine
CID 117308131

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1H-pyrazol-5-amine (CID 117353133) is 4-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1H-pyrazol-5-amine is Nc1[nH]ncc1-c1ccc2oc(C3CC3)nc2c1.
What is the InChIKey of 4-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1H-pyrazol-5-amine?
The InChIKey is ZYJBHBYJSFHWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c14-12-9(6-15-17-12)8-3-4-11-10(5-8)16-13(18-11)7-1-2-7/h3-7H,1-2H2,(H3,14,15,17).
What are the key properties of 4-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1H-pyrazol-5-amine?
4-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1H-pyrazol-5-amine has a molecular weight of 240.27 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1H-pyrazol-5-amine is sourced from PubChem (CID 117353133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).