2-(1-benzylpyrazol-3-yl)-4-propylphenol

C19H20N2O — CID 155515369

IUPAC2-(1-benzylpyrazol-3-yl)-4-propylphenol
SMILESCCCc1ccc(O)c(-c2ccn(Cc3ccccc3)n2)c1
InChIInChI=1S/C19H20N2O/c1-2-6-15-9-10-19(22)17(13-15)18-11-12-21(20-18)14-16-7-4-3-5-8-16/h3-5,7-13,22H,2,6,14H2,1H3
InChIKeyCDAZYUOCCZANCF-UHFFFAOYSA-N
MW292.38 g/mol
LogP4.26
Rot. Bonds5

About 2-(1-benzylpyrazol-3-yl)-4-propylphenol

2-(1-benzylpyrazol-3-yl)-4-propylphenol (PubChem CID 155515369) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-(1-benzylpyrazol-3-yl)-4-propylphenol.

Molecular Properties

Compound Name2-(1-benzylpyrazol-3-yl)-4-propylphenol
PubChem CID155515369
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name2-(1-benzylpyrazol-3-yl)-4-propylphenol
SMILESCCCc1ccc(O)c(-c2ccn(Cc3ccccc3)n2)c1
InChIInChI=1S/C19H20N2O/c1-2-6-15-9-10-19(22)17(13-15)18-11-12-21(20-18)14-16-7-4-3-5-8-16/h3-5,7-13,22H,2,6,14H2,1H3
InChIKeyCDAZYUOCCZANCF-UHFFFAOYSA-N
XLogP4.26
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 ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methanol
CID 882911
Phenol, 4-(7-methyl-1-propyl-1H-indazol-3-yl)-
CID 135511848
2-[2-(Dimethylamino)ethyl]-4-(1,3,5-trimethylpyrazol-4-yl)phenol
CID 25192947
2-(3,5-Dimethyl-1-phenylpyrazol-4-yl)phenol
CID 832558
6-(1-Methyl-3-(pyridin-4-yl)-1h-pyrazol-4-yl)naphthalen-1-ol
CID 11601866
6-(1-Methyl-3-(pyridin-4-yl)-1h-pyrazol-4-yl)naphthalen-2-ol
CID 11659444
4-(5-(2,5-dimethylphenyl)-1-methyl-1H-pyrazol-3-yl)phenol
CID 135546507
SMARCA2/4-ligand-6
CID 137029367
4-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methyl]benzenol
CID 1478286
2-[(4-Benzyltriazol-1-yl)methyl]phenol
CID 11437030
{4-benzyl-1-[4-methoxy-3-(1H-pyrazol-1-ylmethyl)benzyl]piperidin-4-yl}methanol
CID 16191299
5-[(1-Methyl-3-phenylpyrazol-5-yl)methyl]pyridin-3-ol
CID 145980859

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylpyrazol-3-yl)-4-propylphenol?
The IUPAC name of 2-(1-benzylpyrazol-3-yl)-4-propylphenol (CID 155515369) is 2-(1-benzylpyrazol-3-yl)-4-propylphenol.
What is the SMILES notation for 2-(1-benzylpyrazol-3-yl)-4-propylphenol?
The canonical SMILES for 2-(1-benzylpyrazol-3-yl)-4-propylphenol is CCCc1ccc(O)c(-c2ccn(Cc3ccccc3)n2)c1.
What is the InChIKey of 2-(1-benzylpyrazol-3-yl)-4-propylphenol?
The InChIKey is CDAZYUOCCZANCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-2-6-15-9-10-19(22)17(13-15)18-11-12-21(20-18)14-16-7-4-3-5-8-16/h3-5,7-13,22H,2,6,14H2,1H3.
What are the key properties of 2-(1-benzylpyrazol-3-yl)-4-propylphenol?
2-(1-benzylpyrazol-3-yl)-4-propylphenol has a molecular weight of 292.38 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylpyrazol-3-yl)-4-propylphenol is sourced from PubChem (CID 155515369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).