5-(4-chlorophenyl)-1-(2-methoxyphenyl)-3-[(2R,4R)-2-propan-2-yloxan-4-yl]pyrazole

C24H27ClN2O2 — CID 90040082

IUPAC5-(4-chlorophenyl)-1-(2-methoxyphenyl)-3-[(2R,4R)-2-propan-2-yloxan-4-yl]pyrazole
SMILESCOc1ccccc1-n1nc([C@@H]2CCO[C@@H](C(C)C)C2)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C24H27ClN2O2/c1-16(2)24-14-18(12-13-29-24)20-15-22(17-8-10-19(25)11-9-17)27(26-20)21-6-4-5-7-23(21)28-3/h4-11,15-16,18,24H,12-14H2,1-3H3/t18-,24-/m1/s1
InChIKeyVTJFSPOVFGEZFH-HOYKHHGWSA-N
MW410.95 g/mol
LogP6.12
Rot. Bonds5

About 5-(4-chlorophenyl)-1-(2-methoxyphenyl)-3-[(2R,4R)-2-propan-2-yloxan-4-yl]pyrazole

5-(4-chlorophenyl)-1-(2-methoxyphenyl)-3-[(2R,4R)-2-propan-2-yloxan-4-yl]pyrazole (PubChem CID 90040082) has the molecular formula C24H27ClN2O2 and a molecular weight of 410.95 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1-(2-methoxyphenyl)-3-[(2R,4R)-2-propan-2-yloxan-4-yl]pyrazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1-(2-methoxyphenyl)-3-[(2R,4R)-2-propan-2-yloxan-4-yl]pyrazole
PubChem CID90040082
Molecular FormulaC24H27ClN2O2
Molecular Weight410.95 g/mol
Exact Mass410.18
IUPAC Name5-(4-chlorophenyl)-1-(2-methoxyphenyl)-3-[(2R,4R)-2-propan-2-yloxan-4-yl]pyrazole
SMILESCOc1ccccc1-n1nc([C@@H]2CCO[C@@H](C(C)C)C2)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C24H27ClN2O2/c1-16(2)24-14-18(12-13-29-24)20-15-22(17-8-10-19(25)11-9-17)27(26-20)21-6-4-5-7-23(21)28-3/h4-11,15-16,18,24H,12-14H2,1-3H3/t18-,24-/m1/s1
InChIKeyVTJFSPOVFGEZFH-HOYKHHGWSA-N
XLogP6.12
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.95
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(4-chlorophenyl)-1-(2-methoxyphenyl)-3-[(2R,4R)-2-propan-2-yloxan-4-yl]pyrazole 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 5-(4-chlorophenyl)-1-(2-methoxyphenyl)-3-[(2R,4R)-2-propan-2-yloxan-4-yl]pyrazole?
The IUPAC name of 5-(4-chlorophenyl)-1-(2-methoxyphenyl)-3-[(2R,4R)-2-propan-2-yloxan-4-yl]pyrazole (CID 90040082) is 5-(4-chlorophenyl)-1-(2-methoxyphenyl)-3-[(2R,4R)-2-propan-2-yloxan-4-yl]pyrazole.
What is the SMILES notation for 5-(4-chlorophenyl)-1-(2-methoxyphenyl)-3-[(2R,4R)-2-propan-2-yloxan-4-yl]pyrazole?
The canonical SMILES for 5-(4-chlorophenyl)-1-(2-methoxyphenyl)-3-[(2R,4R)-2-propan-2-yloxan-4-yl]pyrazole is COc1ccccc1-n1nc([C@@H]2CCO[C@@H](C(C)C)C2)cc1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-1-(2-methoxyphenyl)-3-[(2R,4R)-2-propan-2-yloxan-4-yl]pyrazole?
The InChIKey is VTJFSPOVFGEZFH-HOYKHHGWSA-N. The full InChI is InChI=1S/C24H27ClN2O2/c1-16(2)24-14-18(12-13-29-24)20-15-22(17-8-10-19(25)11-9-17)27(26-20)21-6-4-5-7-23(21)28-3/h4-11,15-16,18,24H,12-14H2,1-3H3/t18-,24-/m1/s1.
What are the key properties of 5-(4-chlorophenyl)-1-(2-methoxyphenyl)-3-[(2R,4R)-2-propan-2-yloxan-4-yl]pyrazole?
5-(4-chlorophenyl)-1-(2-methoxyphenyl)-3-[(2R,4R)-2-propan-2-yloxan-4-yl]pyrazole has a molecular weight of 410.95 g/mol, XLogP of 6.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1-(2-methoxyphenyl)-3-[(2R,4R)-2-propan-2-yloxan-4-yl]pyrazole is sourced from PubChem (CID 90040082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).