2-(4-benzyl-5-methyl-3-pentan-3-yloxypyrazol-1-yl)-5-cyclopropylpyrimidine

C23H28N4O — CID 118430398

IUPAC2-(4-benzyl-5-methyl-3-pentan-3-yloxypyrazol-1-yl)-5-cyclopropylpyrimidine
SMILESCCC(CC)Oc1nn(-c2ncc(C3CC3)cn2)c(C)c1Cc1ccccc1
InChIInChI=1S/C23H28N4O/c1-4-20(5-2)28-22-21(13-17-9-7-6-8-10-17)16(3)27(26-22)23-24-14-19(15-25-23)18-11-12-18/h6-10,14-15,18,20H,4-5,11-13H2,1-3H3
InChIKeyWLFJOWROPCRLCZ-UHFFFAOYSA-N
MW376.50 g/mol
LogP5.01
Rot. Bonds8

About 2-(4-benzyl-5-methyl-3-pentan-3-yloxypyrazol-1-yl)-5-cyclopropylpyrimidine

2-(4-benzyl-5-methyl-3-pentan-3-yloxypyrazol-1-yl)-5-cyclopropylpyrimidine (PubChem CID 118430398) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is 2-(4-benzyl-5-methyl-3-pentan-3-yloxypyrazol-1-yl)-5-cyclopropylpyrimidine.

Molecular Properties

Compound Name2-(4-benzyl-5-methyl-3-pentan-3-yloxypyrazol-1-yl)-5-cyclopropylpyrimidine
PubChem CID118430398
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name2-(4-benzyl-5-methyl-3-pentan-3-yloxypyrazol-1-yl)-5-cyclopropylpyrimidine
SMILESCCC(CC)Oc1nn(-c2ncc(C3CC3)cn2)c(C)c1Cc1ccccc1
InChIInChI=1S/C23H28N4O/c1-4-20(5-2)28-22-21(13-17-9-7-6-8-10-17)16(3)27(26-22)23-24-14-19(15-25-23)18-11-12-18/h6-10,14-15,18,20H,4-5,11-13H2,1-3H3
InChIKeyWLFJOWROPCRLCZ-UHFFFAOYSA-N
XLogP5.01
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzyl-5-methyl-3-pentan-3-yloxypyrazol-1-yl)-5-cyclopropylpyrimidine?
The IUPAC name of 2-(4-benzyl-5-methyl-3-pentan-3-yloxypyrazol-1-yl)-5-cyclopropylpyrimidine (CID 118430398) is 2-(4-benzyl-5-methyl-3-pentan-3-yloxypyrazol-1-yl)-5-cyclopropylpyrimidine.
What is the SMILES notation for 2-(4-benzyl-5-methyl-3-pentan-3-yloxypyrazol-1-yl)-5-cyclopropylpyrimidine?
The canonical SMILES for 2-(4-benzyl-5-methyl-3-pentan-3-yloxypyrazol-1-yl)-5-cyclopropylpyrimidine is CCC(CC)Oc1nn(-c2ncc(C3CC3)cn2)c(C)c1Cc1ccccc1.
What is the InChIKey of 2-(4-benzyl-5-methyl-3-pentan-3-yloxypyrazol-1-yl)-5-cyclopropylpyrimidine?
The InChIKey is WLFJOWROPCRLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-4-20(5-2)28-22-21(13-17-9-7-6-8-10-17)16(3)27(26-22)23-24-14-19(15-25-23)18-11-12-18/h6-10,14-15,18,20H,4-5,11-13H2,1-3H3.
What are the key properties of 2-(4-benzyl-5-methyl-3-pentan-3-yloxypyrazol-1-yl)-5-cyclopropylpyrimidine?
2-(4-benzyl-5-methyl-3-pentan-3-yloxypyrazol-1-yl)-5-cyclopropylpyrimidine has a molecular weight of 376.50 g/mol, XLogP of 5.01, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzyl-5-methyl-3-pentan-3-yloxypyrazol-1-yl)-5-cyclopropylpyrimidine is sourced from PubChem (CID 118430398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).