4-[[4-(2-hydroxyethyl)-3,5-dimethylpyrazol-1-yl]methyl]phenol

C14H18N2O2 — CID 115069754

IUPAC4-[[4-(2-hydroxyethyl)-3,5-dimethylpyrazol-1-yl]methyl]phenol
SMILESCc1nn(Cc2ccc(O)cc2)c(C)c1CCO
InChIInChI=1S/C14H18N2O2/c1-10-14(7-8-17)11(2)16(15-10)9-12-3-5-13(18)6-4-12/h3-6,17-18H,7-9H2,1-2H3
InChIKeyBNYFMXROYNEBSP-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.79
Rot. Bonds4

About 4-[[4-(2-hydroxyethyl)-3,5-dimethylpyrazol-1-yl]methyl]phenol

4-[[4-(2-hydroxyethyl)-3,5-dimethylpyrazol-1-yl]methyl]phenol (PubChem CID 115069754) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-[[4-(2-hydroxyethyl)-3,5-dimethylpyrazol-1-yl]methyl]phenol.

Molecular Properties

Compound Name4-[[4-(2-hydroxyethyl)-3,5-dimethylpyrazol-1-yl]methyl]phenol
PubChem CID115069754
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name4-[[4-(2-hydroxyethyl)-3,5-dimethylpyrazol-1-yl]methyl]phenol
SMILESCc1nn(Cc2ccc(O)cc2)c(C)c1CCO
InChIInChI=1S/C14H18N2O2/c1-10-14(7-8-17)11(2)16(15-10)9-12-3-5-13(18)6-4-12/h3-6,17-18H,7-9H2,1-2H3
InChIKeyBNYFMXROYNEBSP-UHFFFAOYSA-N
XLogP1.79
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[4-[[4-(2-hydroxyethyl)-3,5-dimethylpyrazol-1-yl]methyl]phenyl]carbamate
CID 123769874
1-benzyl-4-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3,5-dimethylpyrazole
CID 13433139
3-[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-ethylpropan-1-amine
CID 79224763
2-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetic acid
CID 61294269
4-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]benzoic acid
CID 84612805
4-[(4,5-dimethylimidazol-1-yl)methyl]phenol
CID 116621780
2-[1-(2-ethoxyethyl)-3,5-dimethylpyrazol-4-yl]ethanol
CID 75505877
N-[[3,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrazol-4-yl]methyl]ethanamine
CID 43647830
2-[butan-2-yl-[3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propanoyl]amino]acetic acid
CID 119955113
3-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]-4-methylpentan-1-ol
CID 111469187
N-(3-aminopropyl)-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propanamide
CID 119407891
3-[1-[(3-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propan-1-amine
CID 79225299

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-hydroxyethyl)-3,5-dimethylpyrazol-1-yl]methyl]phenol?
The IUPAC name of 4-[[4-(2-hydroxyethyl)-3,5-dimethylpyrazol-1-yl]methyl]phenol (CID 115069754) is 4-[[4-(2-hydroxyethyl)-3,5-dimethylpyrazol-1-yl]methyl]phenol.
What is the SMILES notation for 4-[[4-(2-hydroxyethyl)-3,5-dimethylpyrazol-1-yl]methyl]phenol?
The canonical SMILES for 4-[[4-(2-hydroxyethyl)-3,5-dimethylpyrazol-1-yl]methyl]phenol is Cc1nn(Cc2ccc(O)cc2)c(C)c1CCO.
What is the InChIKey of 4-[[4-(2-hydroxyethyl)-3,5-dimethylpyrazol-1-yl]methyl]phenol?
The InChIKey is BNYFMXROYNEBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10-14(7-8-17)11(2)16(15-10)9-12-3-5-13(18)6-4-12/h3-6,17-18H,7-9H2,1-2H3.
What are the key properties of 4-[[4-(2-hydroxyethyl)-3,5-dimethylpyrazol-1-yl]methyl]phenol?
4-[[4-(2-hydroxyethyl)-3,5-dimethylpyrazol-1-yl]methyl]phenol has a molecular weight of 246.31 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-hydroxyethyl)-3,5-dimethylpyrazol-1-yl]methyl]phenol is sourced from PubChem (CID 115069754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).