4-(1-cyclopropylpyrazol-3-yl)-2,5-dimethylphenol

C14H16N2O — CID 137298051

IUPAC4-(1-cyclopropylpyrazol-3-yl)-2,5-dimethylphenol
SMILESCc1cc(-c2ccn(C3CC3)n2)c(C)cc1O
InChIInChI=1S/C14H16N2O/c1-9-8-14(17)10(2)7-12(9)13-5-6-16(15-13)11-3-4-11/h5-8,11,17H,3-4H2,1-2H3
InChIKeyGWZTXPOSFJALSW-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.21
Rot. Bonds2

About 4-(1-cyclopropylpyrazol-3-yl)-2,5-dimethylphenol

4-(1-cyclopropylpyrazol-3-yl)-2,5-dimethylphenol (PubChem CID 137298051) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 4-(1-cyclopropylpyrazol-3-yl)-2,5-dimethylphenol.

Molecular Properties

Compound Name4-(1-cyclopropylpyrazol-3-yl)-2,5-dimethylphenol
PubChem CID137298051
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name4-(1-cyclopropylpyrazol-3-yl)-2,5-dimethylphenol
SMILESCc1cc(-c2ccn(C3CC3)n2)c(C)cc1O
InChIInChI=1S/C14H16N2O/c1-9-8-14(17)10(2)7-12(9)13-5-6-16(15-13)11-3-4-11/h5-8,11,17H,3-4H2,1-2H3
InChIKeyGWZTXPOSFJALSW-UHFFFAOYSA-N
XLogP3.21
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopropylpyrazol-3-yl)-2,5-dimethylphenol?
The IUPAC name of 4-(1-cyclopropylpyrazol-3-yl)-2,5-dimethylphenol (CID 137298051) is 4-(1-cyclopropylpyrazol-3-yl)-2,5-dimethylphenol.
What is the SMILES notation for 4-(1-cyclopropylpyrazol-3-yl)-2,5-dimethylphenol?
The canonical SMILES for 4-(1-cyclopropylpyrazol-3-yl)-2,5-dimethylphenol is Cc1cc(-c2ccn(C3CC3)n2)c(C)cc1O.
What is the InChIKey of 4-(1-cyclopropylpyrazol-3-yl)-2,5-dimethylphenol?
The InChIKey is GWZTXPOSFJALSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-9-8-14(17)10(2)7-12(9)13-5-6-16(15-13)11-3-4-11/h5-8,11,17H,3-4H2,1-2H3.
What are the key properties of 4-(1-cyclopropylpyrazol-3-yl)-2,5-dimethylphenol?
4-(1-cyclopropylpyrazol-3-yl)-2,5-dimethylphenol has a molecular weight of 228.29 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopropylpyrazol-3-yl)-2,5-dimethylphenol is sourced from PubChem (CID 137298051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).