2-[4-(5-cyclopropylpyrazol-1-yl)phenyl]propan-1-ol

C15H18N2O — CID 117358014

IUPAC2-[4-(5-cyclopropylpyrazol-1-yl)phenyl]propan-1-ol
SMILESCC(CO)c1ccc(-n2nccc2C2CC2)cc1
InChIInChI=1S/C15H18N2O/c1-11(10-18)12-4-6-14(7-5-12)17-15(8-9-16-17)13-2-3-13/h4-9,11,13,18H,2-3,10H2,1H3
InChIKeyGDNSBOMUODPEKY-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.85
Rot. Bonds4

About 2-[4-(5-cyclopropylpyrazol-1-yl)phenyl]propan-1-ol

2-[4-(5-cyclopropylpyrazol-1-yl)phenyl]propan-1-ol (PubChem CID 117358014) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[4-(5-cyclopropylpyrazol-1-yl)phenyl]propan-1-ol.

Molecular Properties

Compound Name2-[4-(5-cyclopropylpyrazol-1-yl)phenyl]propan-1-ol
PubChem CID117358014
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name2-[4-(5-cyclopropylpyrazol-1-yl)phenyl]propan-1-ol
SMILESCC(CO)c1ccc(-n2nccc2C2CC2)cc1
InChIInChI=1S/C15H18N2O/c1-11(10-18)12-4-6-14(7-5-12)17-15(8-9-16-17)13-2-3-13/h4-9,11,13,18H,2-3,10H2,1H3
InChIKeyGDNSBOMUODPEKY-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-[4-(5-cyclopropylpyrazol-1-yl)phenyl]propan-1-ol?
The IUPAC name of 2-[4-(5-cyclopropylpyrazol-1-yl)phenyl]propan-1-ol (CID 117358014) is 2-[4-(5-cyclopropylpyrazol-1-yl)phenyl]propan-1-ol.
What is the SMILES notation for 2-[4-(5-cyclopropylpyrazol-1-yl)phenyl]propan-1-ol?
The canonical SMILES for 2-[4-(5-cyclopropylpyrazol-1-yl)phenyl]propan-1-ol is CC(CO)c1ccc(-n2nccc2C2CC2)cc1.
What is the InChIKey of 2-[4-(5-cyclopropylpyrazol-1-yl)phenyl]propan-1-ol?
The InChIKey is GDNSBOMUODPEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-11(10-18)12-4-6-14(7-5-12)17-15(8-9-16-17)13-2-3-13/h4-9,11,13,18H,2-3,10H2,1H3.
What are the key properties of 2-[4-(5-cyclopropylpyrazol-1-yl)phenyl]propan-1-ol?
2-[4-(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-[4-(5-cyclopropylpyrazol-1-yl)phenyl]propan-1-ol is sourced from PubChem (CID 117358014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).