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ZCOGUDFPFWINQU-UHFFFAOYSA-N

C13H17N3O — CID 59557950

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-(5-amino-3-tert-butylpyrazol-1-yl)phenol
SMILESCC(C)(C)c1cc(N)n(-c2ccc(O)cc2)n1
InChIInChI=1S/C13H17N3O/c1-13(2,3)11-8-12(14)16(15-11)9-4-6-10(17)7-5-9/h4-8,17H,14H2,1-3H3
InChIKeyZCOGUDFPFWINQU-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.46
Rot. Bonds1

About ZCOGUDFPFWINQU-UHFFFAOYSA-N

ZCOGUDFPFWINQU-UHFFFAOYSA-N (PubChem CID 59557950) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 4-(5-amino-3-tert-butylpyrazol-1-yl)phenol.

Molecular Properties

Compound NameZCOGUDFPFWINQU-UHFFFAOYSA-N
PubChem CID59557950
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name4-(5-amino-3-tert-butylpyrazol-1-yl)phenol
SMILESCC(C)(C)c1cc(N)n(-c2ccc(O)cc2)n1
InChIInChI=1S/C13H17N3O/c1-13(2,3)11-8-12(14)16(15-11)9-4-6-10(17)7-5-9/h4-8,17H,14H2,1-3H3
InChIKeyZCOGUDFPFWINQU-UHFFFAOYSA-N
XLogP2.46
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ZCOGUDFPFWINQU-UHFFFAOYSA-N?
The IUPAC name of ZCOGUDFPFWINQU-UHFFFAOYSA-N (CID 59557950) is 4-(5-amino-3-tert-butylpyrazol-1-yl)phenol.
What is the SMILES notation for ZCOGUDFPFWINQU-UHFFFAOYSA-N?
The canonical SMILES for ZCOGUDFPFWINQU-UHFFFAOYSA-N is CC(C)(C)c1cc(N)n(-c2ccc(O)cc2)n1.
What is the InChIKey of ZCOGUDFPFWINQU-UHFFFAOYSA-N?
The InChIKey is ZCOGUDFPFWINQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-13(2,3)11-8-12(14)16(15-11)9-4-6-10(17)7-5-9/h4-8,17H,14H2,1-3H3.
What are the key properties of ZCOGUDFPFWINQU-UHFFFAOYSA-N?
ZCOGUDFPFWINQU-UHFFFAOYSA-N has a molecular weight of 231.30 g/mol, XLogP of 2.46, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ZCOGUDFPFWINQU-UHFFFAOYSA-N is sourced from PubChem (CID 59557950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

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