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

C15H18N2O — CID 103960386

IUPAC(1R)-1-[2-(3-cyclopropylpyrazol-1-yl)phenyl]propan-1-ol
SMILESCC[C@@H](O)c1ccccc1-n1ccc(C2CC2)n1
InChIInChI=1S/C15H18N2O/c1-2-15(18)12-5-3-4-6-14(12)17-10-9-13(16-17)11-7-8-11/h3-6,9-11,15,18H,2,7-8H2,1H3/t15-/m1/s1
InChIKeyIBDTZUMSRCKQIV-OAHLLOKOSA-N
MW242.32 g/mol
LogP3.19
Rot. Bonds4

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

(1R)-1-[2-(3-cyclopropylpyrazol-1-yl)phenyl]propan-1-ol (PubChem CID 103960386) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is (1R)-1-[2-(3-cyclopropylpyrazol-1-yl)phenyl]propan-1-ol.

Molecular Properties

Compound Name(1R)-1-[2-(3-cyclopropylpyrazol-1-yl)phenyl]propan-1-ol
PubChem CID103960386
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name(1R)-1-[2-(3-cyclopropylpyrazol-1-yl)phenyl]propan-1-ol
SMILESCC[C@@H](O)c1ccccc1-n1ccc(C2CC2)n1
InChIInChI=1S/C15H18N2O/c1-2-15(18)12-5-3-4-6-14(12)17-10-9-13(16-17)11-7-8-11/h3-6,9-11,15,18H,2,7-8H2,1H3/t15-/m1/s1
InChIKeyIBDTZUMSRCKQIV-OAHLLOKOSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(3-cyclopropylpyrazol-1-yl)phenyl]propan-1-ol?
The IUPAC name of (1R)-1-[2-(3-cyclopropylpyrazol-1-yl)phenyl]propan-1-ol (CID 103960386) is (1R)-1-[2-(3-cyclopropylpyrazol-1-yl)phenyl]propan-1-ol.
What is the SMILES notation for (1R)-1-[2-(3-cyclopropylpyrazol-1-yl)phenyl]propan-1-ol?
The canonical SMILES for (1R)-1-[2-(3-cyclopropylpyrazol-1-yl)phenyl]propan-1-ol is CC[C@@H](O)c1ccccc1-n1ccc(C2CC2)n1.
What is the InChIKey of (1R)-1-[2-(3-cyclopropylpyrazol-1-yl)phenyl]propan-1-ol?
The InChIKey is IBDTZUMSRCKQIV-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H18N2O/c1-2-15(18)12-5-3-4-6-14(12)17-10-9-13(16-17)11-7-8-11/h3-6,9-11,15,18H,2,7-8H2,1H3/t15-/m1/s1.
What are the key properties of (1R)-1-[2-(3-cyclopropylpyrazol-1-yl)phenyl]propan-1-ol?
(1R)-1-[2-(3-cyclopropylpyrazol-1-yl)phenyl]propan-1-ol has a molecular weight of 242.32 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(3-cyclopropylpyrazol-1-yl)phenyl]propan-1-ol is sourced from PubChem (CID 103960386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).