2-[3-(5-cyclopropylpyrazol-1-yl)phenyl]propan-1-ol

C15H18N2O — CID 117358013

IUPAC2-[3-(5-cyclopropylpyrazol-1-yl)phenyl]propan-1-ol
SMILESCC(CO)c1cccc(-n2nccc2C2CC2)c1
InChIInChI=1S/C15H18N2O/c1-11(10-18)13-3-2-4-14(9-13)17-15(7-8-16-17)12-5-6-12/h2-4,7-9,11-12,18H,5-6,10H2,1H3
InChIKeyYAWZVOKMZGKWEW-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.85
Rot. Bonds4

About 2-[3-(5-cyclopropylpyrazol-1-yl)phenyl]propan-1-ol

2-[3-(5-cyclopropylpyrazol-1-yl)phenyl]propan-1-ol (PubChem CID 117358013) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[3-(5-cyclopropylpyrazol-1-yl)phenyl]propan-1-ol.

Molecular Properties

Compound Name2-[3-(5-cyclopropylpyrazol-1-yl)phenyl]propan-1-ol
PubChem CID117358013
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name2-[3-(5-cyclopropylpyrazol-1-yl)phenyl]propan-1-ol
SMILESCC(CO)c1cccc(-n2nccc2C2CC2)c1
InChIInChI=1S/C15H18N2O/c1-11(10-18)13-3-2-4-14(9-13)17-15(7-8-16-17)12-5-6-12/h2-4,7-9,11-12,18H,5-6,10H2,1H3
InChIKeyYAWZVOKMZGKWEW-UHFFFAOYSA-N
XLogP2.85
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-cyclopropylpyrazol-1-yl)phenyl]propan-1-ol?
The IUPAC name of 2-[3-(5-cyclopropylpyrazol-1-yl)phenyl]propan-1-ol (CID 117358013) is 2-[3-(5-cyclopropylpyrazol-1-yl)phenyl]propan-1-ol.
What is the SMILES notation for 2-[3-(5-cyclopropylpyrazol-1-yl)phenyl]propan-1-ol?
The canonical SMILES for 2-[3-(5-cyclopropylpyrazol-1-yl)phenyl]propan-1-ol is CC(CO)c1cccc(-n2nccc2C2CC2)c1.
What is the InChIKey of 2-[3-(5-cyclopropylpyrazol-1-yl)phenyl]propan-1-ol?
The InChIKey is YAWZVOKMZGKWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-11(10-18)13-3-2-4-14(9-13)17-15(7-8-16-17)12-5-6-12/h2-4,7-9,11-12,18H,5-6,10H2,1H3.
What are the key properties of 2-[3-(5-cyclopropylpyrazol-1-yl)phenyl]propan-1-ol?
2-[3-(5-cyclopropylpyrazol-1-yl)phenyl]propan-1-ol has a molecular weight of 242.32 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-cyclopropylpyrazol-1-yl)phenyl]propan-1-ol is sourced from PubChem (CID 117358013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).