2-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]ethanol

C15H18N2O — CID 166637809

IUPAC2-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]ethanol
SMILESOCCc1ccc(-c2cnn(CC3CC3)c2)cc1
InChIInChI=1S/C15H18N2O/c18-8-7-12-3-5-14(6-4-12)15-9-16-17(11-15)10-13-1-2-13/h3-6,9,11,13,18H,1-2,7-8,10H2
InChIKeyYXZDFPBZASMYPU-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.49
Rot. Bonds5

About 2-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]ethanol

2-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]ethanol (PubChem CID 166637809) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]ethanol
PubChem CID166637809
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name2-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]ethanol
SMILESOCCc1ccc(-c2cnn(CC3CC3)c2)cc1
InChIInChI=1S/C15H18N2O/c18-8-7-12-3-5-14(6-4-12)15-9-16-17(11-15)10-13-1-2-13/h3-6,9,11,13,18H,1-2,7-8,10H2
InChIKeyYXZDFPBZASMYPU-UHFFFAOYSA-N
XLogP2.49
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]ethanol?
The IUPAC name of 2-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]ethanol (CID 166637809) is 2-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]ethanol.
What is the SMILES notation for 2-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]ethanol?
The canonical SMILES for 2-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]ethanol is OCCc1ccc(-c2cnn(CC3CC3)c2)cc1.
What is the InChIKey of 2-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]ethanol?
The InChIKey is YXZDFPBZASMYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c18-8-7-12-3-5-14(6-4-12)15-9-16-17(11-15)10-13-1-2-13/h3-6,9,11,13,18H,1-2,7-8,10H2.
What are the key properties of 2-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]ethanol?
2-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]ethanol has a molecular weight of 242.32 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]ethanol is sourced from PubChem (CID 166637809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).