4-(5-amino-1-methylpyrazol-3-yl)-2-(3,3-dimethylcyclopentyl)oxyphenol

C17H23N3O2 — CID 136966419

IUPAC4-(5-amino-1-methylpyrazol-3-yl)-2-(3,3-dimethylcyclopentyl)oxyphenol
SMILESCn1nc(-c2ccc(O)c(OC3CCC(C)(C)C3)c2)cc1N
InChIInChI=1S/C17H23N3O2/c1-17(2)7-6-12(10-17)22-15-8-11(4-5-14(15)21)13-9-16(18)20(3)19-13/h4-5,8-9,12,21H,6-7,10,18H2,1-3H3
InChIKeyUOWDWKYBONSDON-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.33
Rot. Bonds3

About 4-(5-amino-1-methylpyrazol-3-yl)-2-(3,3-dimethylcyclopentyl)oxyphenol

4-(5-amino-1-methylpyrazol-3-yl)-2-(3,3-dimethylcyclopentyl)oxyphenol (PubChem CID 136966419) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 4-(5-amino-1-methylpyrazol-3-yl)-2-(3,3-dimethylcyclopentyl)oxyphenol.

Molecular Properties

Compound Name4-(5-amino-1-methylpyrazol-3-yl)-2-(3,3-dimethylcyclopentyl)oxyphenol
PubChem CID136966419
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name4-(5-amino-1-methylpyrazol-3-yl)-2-(3,3-dimethylcyclopentyl)oxyphenol
SMILESCn1nc(-c2ccc(O)c(OC3CCC(C)(C)C3)c2)cc1N
InChIInChI=1S/C17H23N3O2/c1-17(2)7-6-12(10-17)22-15-8-11(4-5-14(15)21)13-9-16(18)20(3)19-13/h4-5,8-9,12,21H,6-7,10,18H2,1-3H3
InChIKeyUOWDWKYBONSDON-UHFFFAOYSA-N
XLogP3.33
TPSA73.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-1-methylpyrazol-3-yl)-2-(3,3-dimethylcyclopentyl)oxyphenol?
The IUPAC name of 4-(5-amino-1-methylpyrazol-3-yl)-2-(3,3-dimethylcyclopentyl)oxyphenol (CID 136966419) is 4-(5-amino-1-methylpyrazol-3-yl)-2-(3,3-dimethylcyclopentyl)oxyphenol.
What is the SMILES notation for 4-(5-amino-1-methylpyrazol-3-yl)-2-(3,3-dimethylcyclopentyl)oxyphenol?
The canonical SMILES for 4-(5-amino-1-methylpyrazol-3-yl)-2-(3,3-dimethylcyclopentyl)oxyphenol is Cn1nc(-c2ccc(O)c(OC3CCC(C)(C)C3)c2)cc1N.
What is the InChIKey of 4-(5-amino-1-methylpyrazol-3-yl)-2-(3,3-dimethylcyclopentyl)oxyphenol?
The InChIKey is UOWDWKYBONSDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-17(2)7-6-12(10-17)22-15-8-11(4-5-14(15)21)13-9-16(18)20(3)19-13/h4-5,8-9,12,21H,6-7,10,18H2,1-3H3.
What are the key properties of 4-(5-amino-1-methylpyrazol-3-yl)-2-(3,3-dimethylcyclopentyl)oxyphenol?
4-(5-amino-1-methylpyrazol-3-yl)-2-(3,3-dimethylcyclopentyl)oxyphenol has a molecular weight of 301.39 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-1-methylpyrazol-3-yl)-2-(3,3-dimethylcyclopentyl)oxyphenol is sourced from PubChem (CID 136966419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).