4-(1-hydroxyethyl)-5-methyl-2-phenyl-3,4-dihydropyrazol-3-ol;hydrate

C12H18N2O3 — CID 177065019

IUPAC4-(1-hydroxyethyl)-5-methyl-2-phenyl-3,4-dihydropyrazol-3-ol;hydrate
SMILESCC1=NN(c2ccccc2)C(O)C1C(C)O.O
InChIInChI=1S/C12H16N2O2.H2O/c1-8-11(9(2)15)12(16)14(13-8)10-6-4-3-5-7-10;/h3-7,9,11-12,15-16H,1-2H3;1H2
InChIKeyRVWBSYNNLLDMMK-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.37
Rot. Bonds2

About 4-(1-hydroxyethyl)-5-methyl-2-phenyl-3,4-dihydropyrazol-3-ol;hydrate

4-(1-hydroxyethyl)-5-methyl-2-phenyl-3,4-dihydropyrazol-3-ol;hydrate (PubChem CID 177065019) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-(1-hydroxyethyl)-5-methyl-2-phenyl-3,4-dihydropyrazol-3-ol;hydrate.

Molecular Properties

Compound Name4-(1-hydroxyethyl)-5-methyl-2-phenyl-3,4-dihydropyrazol-3-ol;hydrate
PubChem CID177065019
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name4-(1-hydroxyethyl)-5-methyl-2-phenyl-3,4-dihydropyrazol-3-ol;hydrate
SMILESCC1=NN(c2ccccc2)C(O)C1C(C)O.O
InChIInChI=1S/C12H16N2O2.H2O/c1-8-11(9(2)15)12(16)14(13-8)10-6-4-3-5-7-10;/h3-7,9,11-12,15-16H,1-2H3;1H2
InChIKeyRVWBSYNNLLDMMK-UHFFFAOYSA-N
XLogP0.37
TPSA87.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxyethyl)-5-methyl-2-phenyl-3,4-dihydropyrazol-3-ol;hydrate?
The IUPAC name of 4-(1-hydroxyethyl)-5-methyl-2-phenyl-3,4-dihydropyrazol-3-ol;hydrate (CID 177065019) is 4-(1-hydroxyethyl)-5-methyl-2-phenyl-3,4-dihydropyrazol-3-ol;hydrate.
What is the SMILES notation for 4-(1-hydroxyethyl)-5-methyl-2-phenyl-3,4-dihydropyrazol-3-ol;hydrate?
The canonical SMILES for 4-(1-hydroxyethyl)-5-methyl-2-phenyl-3,4-dihydropyrazol-3-ol;hydrate is CC1=NN(c2ccccc2)C(O)C1C(C)O.O.
What is the InChIKey of 4-(1-hydroxyethyl)-5-methyl-2-phenyl-3,4-dihydropyrazol-3-ol;hydrate?
The InChIKey is RVWBSYNNLLDMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2.H2O/c1-8-11(9(2)15)12(16)14(13-8)10-6-4-3-5-7-10;/h3-7,9,11-12,15-16H,1-2H3;1H2.
What are the key properties of 4-(1-hydroxyethyl)-5-methyl-2-phenyl-3,4-dihydropyrazol-3-ol;hydrate?
4-(1-hydroxyethyl)-5-methyl-2-phenyl-3,4-dihydropyrazol-3-ol;hydrate has a molecular weight of 238.29 g/mol, XLogP of 0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxyethyl)-5-methyl-2-phenyl-3,4-dihydropyrazol-3-ol;hydrate is sourced from PubChem (CID 177065019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).