(3R,5S,6R)-2-[4-[(4-cyclopropylphenyl)methyl]-5-methyl-1-(oxolan-3-yl)pyrazol-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

C24H32N2O7 — CID 71029815

IUPAC(3R,5S,6R)-2-[4-[(4-cyclopropylphenyl)methyl]-5-methyl-1-(oxolan-3-yl)pyrazol-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESCc1c(Cc2ccc(C3CC3)cc2)c(OC2O[C@H](CO)[C@@H](O)C(O)[C@H]2O)nn1C1CCOC1
InChIInChI=1S/C24H32N2O7/c1-13-18(10-14-2-4-15(5-3-14)16-6-7-16)23(25-26(13)17-8-9-31-12-17)33-24-22(30)21(29)20(28)19(11-27)32-24/h2-5,16-17,19-22,24,27-30H,6-12H2,1H3/t17?,19-,20-,21?,22-,24?/m1/s1
InChIKeyVKBVPRAMSAWKPL-AMPGBBLCSA-N
MW460.53 g/mol
LogP0.80
Rot. Bonds7

About (3R,5S,6R)-2-[4-[(4-cyclopropylphenyl)methyl]-5-methyl-1-(oxolan-3-yl)pyrazol-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

(3R,5S,6R)-2-[4-[(4-cyclopropylphenyl)methyl]-5-methyl-1-(oxolan-3-yl)pyrazol-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 71029815) has the molecular formula C24H32N2O7 and a molecular weight of 460.53 g/mol. Its IUPAC name is (3R,5S,6R)-2-[4-[(4-cyclopropylphenyl)methyl]-5-methyl-1-(oxolan-3-yl)pyrazol-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(3R,5S,6R)-2-[4-[(4-cyclopropylphenyl)methyl]-5-methyl-1-(oxolan-3-yl)pyrazol-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID71029815
Molecular FormulaC24H32N2O7
Molecular Weight460.53 g/mol
Exact Mass460.22
IUPAC Name(3R,5S,6R)-2-[4-[(4-cyclopropylphenyl)methyl]-5-methyl-1-(oxolan-3-yl)pyrazol-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESCc1c(Cc2ccc(C3CC3)cc2)c(OC2O[C@H](CO)[C@@H](O)C(O)[C@H]2O)nn1C1CCOC1
InChIInChI=1S/C24H32N2O7/c1-13-18(10-14-2-4-15(5-3-14)16-6-7-16)23(25-26(13)17-8-9-31-12-17)33-24-22(30)21(29)20(28)19(11-27)32-24/h2-5,16-17,19-22,24,27-30H,6-12H2,1H3/t17?,19-,20-,21?,22-,24?/m1/s1
InChIKeyVKBVPRAMSAWKPL-AMPGBBLCSA-N
XLogP0.80
TPSA126.43 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 50.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze (3R,5S,6R)-2-[4-[(4-cyclopropylphenyl)methyl]-5-methyl-1-(oxolan-3-yl)pyrazol-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,5S,6R)-2-[4-[(4-cyclopropylphenyl)methyl]-5-methyl-1-(oxolan-3-yl)pyrazol-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of (3R,5S,6R)-2-[4-[(4-cyclopropylphenyl)methyl]-5-methyl-1-(oxolan-3-yl)pyrazol-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol (CID 71029815) is (3R,5S,6R)-2-[4-[(4-cyclopropylphenyl)methyl]-5-methyl-1-(oxolan-3-yl)pyrazol-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for (3R,5S,6R)-2-[4-[(4-cyclopropylphenyl)methyl]-5-methyl-1-(oxolan-3-yl)pyrazol-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for (3R,5S,6R)-2-[4-[(4-cyclopropylphenyl)methyl]-5-methyl-1-(oxolan-3-yl)pyrazol-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol is Cc1c(Cc2ccc(C3CC3)cc2)c(OC2O[C@H](CO)[C@@H](O)C(O)[C@H]2O)nn1C1CCOC1.
What is the InChIKey of (3R,5S,6R)-2-[4-[(4-cyclopropylphenyl)methyl]-5-methyl-1-(oxolan-3-yl)pyrazol-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is VKBVPRAMSAWKPL-AMPGBBLCSA-N. The full InChI is InChI=1S/C24H32N2O7/c1-13-18(10-14-2-4-15(5-3-14)16-6-7-16)23(25-26(13)17-8-9-31-12-17)33-24-22(30)21(29)20(28)19(11-27)32-24/h2-5,16-17,19-22,24,27-30H,6-12H2,1H3/t17?,19-,20-,21?,22-,24?/m1/s1.
What are the key properties of (3R,5S,6R)-2-[4-[(4-cyclopropylphenyl)methyl]-5-methyl-1-(oxolan-3-yl)pyrazol-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol?
(3R,5S,6R)-2-[4-[(4-cyclopropylphenyl)methyl]-5-methyl-1-(oxolan-3-yl)pyrazol-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 460.53 g/mol, XLogP of 0.80, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S,6R)-2-[4-[(4-cyclopropylphenyl)methyl]-5-methyl-1-(oxolan-3-yl)pyrazol-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 71029815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).