phenyl-(1-phenyl-5-propylpyrazol-4-yl)methanol

C19H20N2O — CID 10613604

IUPACphenyl-(1-phenyl-5-propylpyrazol-4-yl)methanol
SMILESCCCc1c(C(O)c2ccccc2)cnn1-c1ccccc1
InChIInChI=1S/C19H20N2O/c1-2-9-18-17(19(22)15-10-5-3-6-11-15)14-20-21(18)16-12-7-4-8-13-16/h3-8,10-14,19,22H,2,9H2,1H3
InChIKeyPQWXKAVIOJRLCB-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.91
Rot. Bonds5

About phenyl-(1-phenyl-5-propylpyrazol-4-yl)methanol

phenyl-(1-phenyl-5-propylpyrazol-4-yl)methanol (PubChem CID 10613604) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is phenyl-(1-phenyl-5-propylpyrazol-4-yl)methanol.

Molecular Properties

Compound Namephenyl-(1-phenyl-5-propylpyrazol-4-yl)methanol
PubChem CID10613604
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Namephenyl-(1-phenyl-5-propylpyrazol-4-yl)methanol
SMILESCCCc1c(C(O)c2ccccc2)cnn1-c1ccccc1
InChIInChI=1S/C19H20N2O/c1-2-9-18-17(19(22)15-10-5-3-6-11-15)14-20-21(18)16-12-7-4-8-13-16/h3-8,10-14,19,22H,2,9H2,1H3
InChIKeyPQWXKAVIOJRLCB-UHFFFAOYSA-N
XLogP3.91
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of phenyl-(1-phenyl-5-propylpyrazol-4-yl)methanol?
The IUPAC name of phenyl-(1-phenyl-5-propylpyrazol-4-yl)methanol (CID 10613604) is phenyl-(1-phenyl-5-propylpyrazol-4-yl)methanol.
What is the SMILES notation for phenyl-(1-phenyl-5-propylpyrazol-4-yl)methanol?
The canonical SMILES for phenyl-(1-phenyl-5-propylpyrazol-4-yl)methanol is CCCc1c(C(O)c2ccccc2)cnn1-c1ccccc1.
What is the InChIKey of phenyl-(1-phenyl-5-propylpyrazol-4-yl)methanol?
The InChIKey is PQWXKAVIOJRLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-2-9-18-17(19(22)15-10-5-3-6-11-15)14-20-21(18)16-12-7-4-8-13-16/h3-8,10-14,19,22H,2,9H2,1H3.
What are the key properties of phenyl-(1-phenyl-5-propylpyrazol-4-yl)methanol?
phenyl-(1-phenyl-5-propylpyrazol-4-yl)methanol has a molecular weight of 292.38 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(1-phenyl-5-propylpyrazol-4-yl)methanol is sourced from PubChem (CID 10613604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).